data_2eel_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 2eel _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 ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.752 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.557 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 44' ' ' ALA . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' C ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' C ' ' A' ' 47' ' ' LEU . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 51' ' ' VAL . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 15' ' ' SER . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 14' ' ' VAL . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.425 ' CD2' HE22 ' A' ' 81' ' ' GLN . 11.9 p80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 26' ' ' MET . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.47 ' N ' HG12 ' A' ' 25' ' ' VAL . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.484 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 44' ' ' ALA . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 17.1 m80 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.425 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.509 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.743 0.306 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.43 ' CD2' HE22 ' A' ' 81' ' ' GLN . 10.2 p80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.729 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 44' ' ' ALA . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 ' CG2' HG21 ' A' ' 58' ' ' VAL . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 HG21 ' CG2' ' A' ' 49' ' ' THR . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 83' ' ' TRP . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.43 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.472 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.31 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.627 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.457 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.515 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.597 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.527 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.428 ' CG2' HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 44' ' ' ALA . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' C ' HG12 ' A' ' 51' ' ' VAL . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 50' ' ' LEU . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 83' ' ' TRP . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.471 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.665 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 48' ' ' VAL . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.433 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.514 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CG ' HE22 ' A' ' 81' ' ' GLN . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HD2' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' CG1' HD23 ' A' ' 50' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LEU . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 44' ' ' ALA . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD23 ' CG1' ' A' ' 34' ' ' ILE . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.552 HG22 ' CE1' ' A' ' 74' ' ' PHE . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.499 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 72' ' ' THR . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 83' ' ' TRP . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.44 HE22 ' CG ' ' A' ' 17' ' ' HIS . 13.5 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.442 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.9 t90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 20.8 p80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 44' ' ' ALA . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.41 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.585 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.513 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CG ' HE22 ' A' ' 81' ' ' GLN . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HG12 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 83' ' ' TRP . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.422 HE22 ' CG ' ' A' ' 17' ' ' HIS . 7.5 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.465 ' N ' HD13 ' A' ' 77' ' ' LEU . 2.1 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG2' ' HD2' ' A' ' 23' ' ' ARG . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.442 ' N ' HG12 ' A' ' 25' ' ' VAL . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' CG ' ' HZ2' ' A' ' 36' ' ' LYS . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' N ' HD11 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' CD2' HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.43 HD12 ' CD2' ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 33' ' ' LEU . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.465 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 21.2 p80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CG ' ' CE1' ' A' ' 17' ' ' HIS . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG11 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 34' ' ' ILE . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 44' ' ' ALA . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' C ' HG13 ' A' ' 51' ' ' VAL . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 8.3 m80 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.424 HE22 ' CG ' ' A' ' 17' ' ' HIS . 5.3 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.405 ' CD2' ' C ' ' A' ' 83' ' ' TRP . 1.5 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG2' HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' HG13 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 34' ' ' ILE . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 83' ' ' TRP . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.455 ' N ' HD12 ' A' ' 77' ' ' LEU . 5.4 t90 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.682 ' ND2' ' HG ' ' A' ' 21' ' ' SER . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.497 ' CD2' HE22 ' A' ' 81' ' ' GLN . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.682 ' HG ' ' ND2' ' A' ' 16' ' ' ASN . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 24' ' ' GLY . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' VAL . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 44' ' ' ALA . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.421 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 50' ' ' LEU . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD21 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.512 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.429 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 83' ' ' TRP . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.497 HE22 ' CD2' ' A' ' 17' ' ' HIS . 11.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.512 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.345 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 26' ' ' MET . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG12 ' A' ' 25' ' ' VAL . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 ' CG2' HG13 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 44' ' ' ALA . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 33' ' ' LEU . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.565 HG23 ' CE1' ' A' ' 74' ' ' PHE . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 72' ' ' THR . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.442 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.445 ' N ' HD11 ' A' ' 77' ' ' LEU . 6.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.344 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.569 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 25.0 p80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.619 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.619 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 44' ' ' ALA . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 47' ' ' LEU . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 33' ' ' LEU . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 HG12 ' C ' ' A' ' 50' ' ' LEU . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 36.3 m80 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.403 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 83' ' ' TRP . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.425 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.9 t90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.616 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.452 ' N ' HG12 ' A' ' 25' ' ' VAL . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CG1' HD23 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' THR . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 44' ' ' ALA . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 83' ' ' TRP . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.518 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.436 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 18.2 p80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.603 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.472 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 20.9 m80 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 83' ' ' TRP . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.478 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' N ' HG11 ' A' ' 14' ' ' VAL . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG1' HD23 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 44' ' ' ALA . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 64' ' ' PHE . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.412 ' N ' ' CD2' ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 52' ' ' LEU . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 83' ' ' TRP . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.485 HE22 ' CD2' ' A' ' 17' ' ' HIS . 20.7 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.3 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.594 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.594 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.524 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.505 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 10.9 m80 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 83' ' ' TRP . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.504 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG12 ' CG2' ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.41 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.41 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.521 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 ' CG2' HG12 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG2' HD13 ' A' ' 76' ' ' ILE . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.409 HD13 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 83' ' ' TRP . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.509 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -56.95 -51.36 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -143.06 150.01 38.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 167.09 25.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -143.57 121.54 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -68.84 87.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.66 -177.14 54.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.51 60.18 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.467 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . -106.76 153.52 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.467 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.557 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 44' ' ' ALA . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.466 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' C ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' C ' ' A' ' 47' ' ' LEU . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 51' ' ' VAL . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.557 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -76.95 154.72 33.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.3 mtp -142.73 143.82 27.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.69 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.739 2.293 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.7 m -70.87 117.44 12.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.07 146.33 14.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -21.71 33.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.385 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.6 p -171.36 157.25 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.5 t -115.17 100.32 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 158.51 43.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -44.64 -49.77 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.88 90.52 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -145.88 168.5 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.6 146.52 8.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.94 69.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.27 135.19 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 15' ' ' SER . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 14' ' ' VAL . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.425 ' CD2' HE22 ' A' ' 81' ' ' GLN . 11.9 p80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 26' ' ' MET . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.47 ' N ' HG12 ' A' ' 25' ' ' VAL . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.484 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 44' ' ' ALA . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 17.1 m80 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.425 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.509 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -77.94 154.0 32.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 28.6 mtp -138.97 144.5 41.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.3 Cg_endo -69.74 -178.09 2.17 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.5 t -110.72 -35.27 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 -168.1 39.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 153.63 69.11 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -140.83 171.14 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 44.3 40.98 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -55.14 -56.24 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -96.62 112.43 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 153.78 25.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -124.19 152.47 42.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -120.12 162.13 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.85 165.49 30.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.78 59.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.43 138.73 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.43 ' CD2' HE22 ' A' ' 81' ' ' GLN . 10.2 p80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.729 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.729 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 44' ' ' ALA . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 ' CG2' HG21 ' A' ' 58' ' ' VAL . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 HG21 ' CG2' ' A' ' 49' ' ' THR . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 83' ' ' TRP . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.43 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.472 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 -83.65 152.59 24.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.64 143.78 39.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.03 2.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -73.11 106.77 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.03 156.7 28.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -144.14 114.03 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -81.57 85.44 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.534 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -125.1 112.98 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -79.39 159.25 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.36 118.9 10.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -38.69 103.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -114.3 -61.33 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.03 -161.46 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 151.63 69.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.08 147.67 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' NH1' ' C ' ' A' ' 85' ' ' PRO . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.627 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.627 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.56 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.457 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.515 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 -82.61 155.09 24.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.416 ' N ' ' CD2' ' A' ' 83' ' ' TRP . 31.2 mtp -140.94 144.69 36.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.473 0.654 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.6 Cg_endo -69.74 -164.78 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 83.0 p -67.35 105.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.03 156.41 52.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.758 2.305 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -73.96 163.71 27.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 t -60.92 125.87 25.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -96.71 135.83 38.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 t -53.23 154.27 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.82 -132.5 0.72 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -121.6 -73.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -111.71 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.1 -72.36 1.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 168.69 20.71 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.728 2.285 . . . . 0.0 112.294 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.73 149.57 14.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.597 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.597 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.527 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.428 ' CG2' HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 44' ' ' ALA . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' C ' HG12 ' A' ' 51' ' ' VAL . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 50' ' ' LEU . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD13 ' N ' ' A' ' 83' ' ' TRP . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.471 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 -79.13 143.66 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 21.8 mtp -131.25 143.33 48.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -177.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -90.74 124.29 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.51 -174.0 41.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 91.31 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.258 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.0 p -89.98 177.23 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -96.19 149.34 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -82.77 -48.78 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -102.21 87.89 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.82 -143.91 7.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -106.58 105.02 14.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -87.15 -56.2 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.98 -179.28 26.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.56 57.86 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.73 146.42 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.447 HG13 ' CG2' ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.665 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.539 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 48' ' ' VAL . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.539 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.433 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.514 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 -83.17 143.96 30.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mtp -132.2 144.26 52.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.2 p -89.07 -6.79 56.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.44 169.8 25.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -76.62 127.89 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 50.88 40.97 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.58 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -153.15 160.32 42.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -126.24 97.45 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.31 172.36 14.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -165.26 129.35 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -125.96 123.32 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.06 146.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.12 66.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.45 133.11 25.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CG ' HE22 ' A' ' 81' ' ' GLN . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HD2' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' CG1' HD23 ' A' ' 50' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LEU . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 44' ' ' ALA . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD23 ' CG1' ' A' ' 34' ' ' ILE . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.552 HG22 ' CE1' ' A' ' 74' ' ' PHE . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.499 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 72' ' ' THR . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 83' ' ' TRP . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.44 HE22 ' CG ' ' A' ' 17' ' ' HIS . 13.5 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.442 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.9 t90 -71.8 149.01 45.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.4 mtp -141.26 143.59 31.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -178.65 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.728 2.286 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 p -66.29 102.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.89 151.05 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 174.4 9.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' SER . 62.2 p -152.33 162.74 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' SER . 80.7 p -34.51 -44.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -159.74 147.81 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -133.1 98.57 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.86 145.72 19.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.04 124.73 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.79 -45.64 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.14 151.87 8.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.13 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.13 139.45 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 20.8 p80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.567 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 44' ' ' ALA . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.41 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.585 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.513 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 -74.41 146.15 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.2 mtp -130.02 143.53 49.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.5 t -116.11 -30.25 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.45 164.71 43.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.587 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.51 25.06 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 t -173.68 135.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 m -105.09 156.24 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -118.62 108.06 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -116.51 102.8 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.54 97.3 2.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -111.24 146.38 37.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -143.65 167.31 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.24 156.3 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 153.68 68.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.24 139.49 38.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.044 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG12 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.422 ' CG ' HE22 ' A' ' 81' ' ' GLN . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HG12 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' CB ' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.454 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 83' ' ' TRP . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.422 HE22 ' CG ' ' A' ' 17' ' ' HIS . 7.5 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.465 ' N ' HD13 ' A' ' 77' ' ' LEU . 2.1 t90 -86.96 146.56 26.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.0 mtp -131.3 143.55 49.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.527 0.68 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.24 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.7 t -50.76 120.95 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.04 160.87 10.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 1.0 4.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -55.8 144.89 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.8 t -88.1 120.13 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 56.34 41.95 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -137.34 117.02 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.42 88.72 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -126.57 158.68 35.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -162.25 116.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.51 152.84 27.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 175.59 7.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.25 143.4 26.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CD ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG2' ' HD2' ' A' ' 23' ' ' ARG . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.442 ' N ' HG12 ' A' ' 25' ' ' VAL . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.508 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' CG ' ' HZ2' ' A' ' 36' ' ' LYS . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' N ' HD11 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' CD2' HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.43 HD12 ' CD2' ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' HD12 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 33' ' ' LEU . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG11 ' CD1' ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.419 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.465 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -85.04 144.22 28.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.1 mtp -130.66 143.72 50.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.7 2.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 t -90.21 125.37 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.55 157.9 25.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.92 32.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.3 m -103.37 172.2 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -133.32 150.25 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t 50.71 42.36 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -85.55 102.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.11 179.93 24.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 87.8 p 35.79 42.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -98.69 174.8 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -157.99 8.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.26 30.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.98 49.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 21.2 p80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CG ' ' CE1' ' A' ' 17' ' ' HIS . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG11 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' HB1' ' CE ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' CE ' ' HB1' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 34' ' ' ILE . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 44' ' ' ALA . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' C ' HG13 ' A' ' 51' ' ' VAL . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' H ' ' CG ' ' A' ' 54' ' ' GLU . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.469 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.485 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 8.3 m80 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.424 HE22 ' CG ' ' A' ' 17' ' ' HIS . 5.3 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.496 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 1.5 t90 -78.96 153.36 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.5 mtp -140.94 143.73 32.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.8 Cg_endo -69.77 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -44.64 121.5 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.35 145.77 17.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 140.03 42.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 165.49 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.6 p -145.22 133.07 21.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -54.66 172.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -113.2 146.75 38.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 160.15 2.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -149.31 171.43 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -148.03 148.85 31.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.88 146.11 7.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.75 18.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.18 142.64 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' CG2' HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' HG13 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 34' ' ' ILE . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 83' ' ' TRP . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.455 ' N ' HD12 ' A' ' 77' ' ' LEU . 5.4 t90 -79.3 146.21 33.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 34.9 mtp -135.05 143.72 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.62 2.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.61 2.206 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -82.33 124.37 29.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.03 -158.16 29.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 154.94 66.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.6 m -152.51 157.25 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -75.38 108.04 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.423 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -81.73 109.28 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -116.29 87.13 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.77 109.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -95.36 113.61 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -117.7 80.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 162.35 12.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 145.42 57.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.359 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.29 138.17 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.682 ' ND2' ' HG ' ' A' ' 21' ' ' SER . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.497 ' CD2' HE22 ' A' ' 81' ' ' GLN . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.682 ' HG ' ' ND2' ' A' ' 16' ' ' ASN . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 24' ' ' GLY . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB3' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' VAL . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 44' ' ' ALA . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 50' ' ' LEU . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD21 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.512 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.429 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 83' ' ' TRP . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.497 HE22 ' CD2' ' A' ' 17' ' ' HIS . 11.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.512 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 -82.7 149.62 27.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.0 mtp -137.37 144.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.1 p -74.52 105.13 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.58 162.57 24.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -63.55 110.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 t -95.31 154.23 17.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -106.54 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -126.21 89.06 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 -139.75 11.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -106.36 168.12 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -113.85 166.63 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 -158.01 10.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 127.39 14.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.01 41.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 26' ' ' MET . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG12 ' A' ' 25' ' ' VAL . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' CG2' HG13 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 44' ' ' ALA . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 33' ' ' LEU . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.565 HG23 ' CE1' ' A' ' 74' ' ' PHE . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CE1' HG23 ' A' ' 72' ' ' THR . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.442 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' N ' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.489 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 6.5 t90 -86.11 154.24 21.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.3 mtp -145.09 143.79 21.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.1 Cg_endo -69.82 -177.08 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -96.04 -45.17 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.98 -173.51 15.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 119.97 6.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.3 p -147.86 164.31 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.5 p -125.53 128.88 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -118.17 159.9 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.78 130.7 11.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 -109.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -145.52 141.2 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -117.43 94.24 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.56 174.18 34.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 130.35 19.28 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.718 2.279 . . . . 0.0 112.301 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.69 153.13 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 25.0 p80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' NH1' ' N ' ' A' ' 86' ' ' SER . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.619 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.619 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.498 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 44' ' ' ALA . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 47' ' ' LEU . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 33' ' ' LEU . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG12 ' C ' ' A' ' 50' ' ' LEU . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 36.3 m80 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.403 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 83' ' ' TRP . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.425 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.9 t90 -81.76 146.47 29.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mtp -138.64 143.94 40.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 54.4 Cg_endo -69.79 -177.99 2.14 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.459 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 53.5 p -47.19 117.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 147.07 151.15 5.35 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.419 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 135.91 31.69 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.7 m -87.97 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.0 t -92.57 80.04 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' SER . 88.9 p -129.17 133.77 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' SER . 82.8 p 37.29 41.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.9 -155.97 16.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -85.02 98.11 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -41.58 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 173.43 35.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.41 68.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -57.43 148.43 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.616 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.452 ' N ' HG12 ' A' ' 25' ' ' VAL . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.483 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CG1' HD23 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' THR . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 44' ' ' ALA . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' N ' HG23 ' A' ' 43' ' ' ILE . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 83' ' ' TRP . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.518 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -85.16 148.71 25.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 33.2 mtp -132.02 145.72 58.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 83' ' ' TRP . 54.2 Cg_endo -69.71 -179.28 2.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.1 t -115.64 25.79 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.2 175.57 17.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.9 -26.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -57.19 142.75 41.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.9 m 51.14 41.04 27.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m 64.07 41.55 6.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.794 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -95.13 158.8 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -119.13 3.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -151.46 160.89 43.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.67 -42.16 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 -157.92 7.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -177.3 1.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . -161.09 164.21 30.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.436 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 18.2 p80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.603 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.472 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 20.9 m80 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 83' ' ' TRP . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.478 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 -85.92 145.61 27.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 mtp -131.49 143.7 50.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.59 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.287 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -99.13 129.1 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.24 166.99 29.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.422 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -11.12 30.21 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -79.77 51.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -139.53 171.69 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -113.38 159.86 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -73.64 154.81 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 94.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -132.63 43.93 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -145.03 114.55 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.37 145.21 5.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.65 33.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.89 137.5 39.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' N ' HG11 ' A' ' 14' ' ' VAL . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG1' HD23 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 44' ' ' ALA . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' N ' HG21 ' A' ' 43' ' ' ILE . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD11 ' CE2' ' A' ' 64' ' ' PHE . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.412 ' N ' ' CD2' ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 52' ' ' LEU . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 83' ' ' TRP . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.485 HE22 ' CD2' ' A' ' 17' ' ' HIS . 20.7 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 77' ' ' LEU . 6.3 t90 -83.15 157.04 22.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.435 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 31.0 mtp -142.71 143.71 27.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' HA ' ' CZ2' ' A' ' 83' ' ' TRP . 53.2 Cg_endo -69.76 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 p -105.81 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.84 -178.29 16.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.98 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -132.24 87.68 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 79.5 p -54.78 165.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -41.82 160.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -112.43 -44.39 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.0 103.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -101.45 95.72 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -48.51 -58.73 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 165.99 20.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.49 49.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.22 151.46 19.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.594 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.594 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.524 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.505 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.47 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 10.9 m80 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 83' ' ' TRP . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.504 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -93.57 151.65 19.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 29.3 mtp -136.3 143.98 45.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.527 0.68 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.41 ' HA ' ' CZ2' ' A' ' 83' ' ' TRP . 53.3 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -106.7 175.76 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 150.62 5.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.94 5.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -162.77 108.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -65.4 170.54 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.5 p -48.47 -47.57 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.893 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.3 p 37.78 42.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.04 138.05 8.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -45.45 142.14 2.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -90.48 -46.98 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 172.84 17.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.16 49.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.97 158.22 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG12 ' CG2' ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.41 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.41 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.521 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' CG2' HG12 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG2' HD13 ' A' ' 76' ' ' ILE . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.509 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 HD13 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 83' ' ' TRP . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.509 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 -76.03 151.45 37.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.3 mtp -142.84 143.76 26.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.6 Cg_endo -69.8 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 19' ' ' ARG . 39.8 p -99.01 -42.77 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.86 -158.55 33.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.17 64.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -151.58 160.62 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 m -123.58 118.38 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.752 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.633 HG11 HG23 ' A' ' 37' ' ' THR . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.644 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.633 HG23 HG11 ' A' ' 14' ' ' VAL . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 43' ' ' ILE . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 42' ' ' VAL . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 38' ' ' LEU . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 67' ' ' THR . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 63' ' ' GLU . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 65' ' ' PHE . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 17' ' ' HIS . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.648 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.522 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.67 ' CG2' HG11 ' A' ' 14' ' ' VAL . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 43' ' ' ILE . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 37' ' ' THR . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' VAL . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 38' ' ' LEU . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 78' ' ' GLU . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 ' HB ' ' A' ' 57' ' ' THR . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.672 ' HB ' HD12 ' A' ' 52' ' ' LEU . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 82' ' ' LYS . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.493 ' HA ' HD13 ' A' ' 77' ' ' LEU . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.743 0.306 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.966 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.755 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD22 HG12 ' A' ' 59' ' ' VAL . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.558 HG23 HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.899 HD23 HD12 ' A' ' 43' ' ' ILE . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.966 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.899 HD12 HD23 ' A' ' 38' ' ' LEU . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 47' ' ' LEU . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD12 ' HB ' ' A' ' 57' ' ' THR . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 52' ' ' LEU . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 HD22 ' A' ' 30' ' ' LEU . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 52' ' ' LEU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 82' ' ' LYS . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.31 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 37' ' ' THR . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.65 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.446 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' A' ' 76' ' ' ILE . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.749 ' HA ' HG12 ' A' ' 51' ' ' VAL . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 64' ' ' PHE . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 63' ' ' GLU . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 76' ' ' ILE . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HB2' ' NE2' ' A' ' 81' ' ' GLN . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.508 ' NE2' ' HB2' ' A' ' 78' ' ' GLU . 74.2 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG11 HG23 ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.54 HG23 HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLY . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 34' ' ' ILE . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.912 HG12 ' HA ' ' A' ' 58' ' ' VAL . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.912 ' HA ' HG12 ' A' ' 51' ' ' VAL . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 67' ' ' THR . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 63' ' ' GLU . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' VAL . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.551 HG11 HG23 ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.551 HG23 HG11 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 43' ' ' ILE . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 38' ' ' LEU . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' CG2' HD21 ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 72' ' ' THR . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 68' ' ' LEU . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.727 HH11 ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 36' ' ' LYS . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 26' ' ' MET . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.609 ' HB3' HG11 ' A' ' 25' ' ' VAL . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.422 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 43' ' ' ILE . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HB1' HH11 ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 38' ' ' LEU . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 51' ' ' VAL . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 72' ' ' THR . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 HD13 ' A' ' 68' ' ' LEU . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.536 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LYS . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 14.9 t90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 54.8 p-80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 50' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 43' ' ' ILE . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 38' ' ' LEU . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' TRP . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 57' ' ' THR . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.846 ' HB ' HD12 ' A' ' 52' ' ' LEU . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 67' ' ' THR . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.529 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.527 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' NE2' ' A' ' 73' ' ' HIS . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.403 ' O ' ' HE1' ' A' ' 75' ' ' MET . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.827 HH11 HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 HH11 ' A' ' 23' ' ' ARG . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 34' ' ' ILE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD11 HD11 ' A' ' 30' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 43' ' ' ILE . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 37' ' ' THR . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 38' ' ' LEU . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.939 ' HA ' HG12 ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.425 ' NE2' ' HD2' ' A' ' 13' ' ' ARG . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HB2' HE21 ' A' ' 81' ' ' GLN . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.654 HE21 ' HB2' ' A' ' 78' ' ' GLU . 35.6 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.463 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 2.1 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.504 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.571 ' CG2' HG11 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.886 HD12 HD23 ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.572 ' N ' HD13 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 82' ' ' LYS . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.487 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG12 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 43' ' ' ILE . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD12 HD23 ' A' ' 38' ' ' LEU . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HB2' ' A' ' 73' ' ' HIS . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.886 ' HA ' HG12 ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 63' ' ' GLU . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.448 ' HB2' ' CD ' ' A' ' 53' ' ' GLU . 23.2 m-70 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 83' ' ' TRP . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.64 ' HB2' HE21 ' A' ' 81' ' ' GLN . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.64 HE21 ' HB2' ' A' ' 78' ' ' GLU . 31.8 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.405 ' CD2' ' C ' ' A' ' 83' ' ' TRP . 1.5 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.92 HH11 HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.92 HG22 HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.427 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 43' ' ' ILE . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 38' ' ' LEU . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.805 ' CG2' HD11 ' A' ' 76' ' ' ILE . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' HD12 ' A' ' 52' ' ' LEU . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 63' ' ' GLU . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.805 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 82' ' ' LYS . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' ' 77' ' ' LEU . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.718 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 23' ' ' ARG . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 41' ' ' LEU . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.718 ' HB1' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 37' ' ' THR . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 67' ' ' THR . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 63' ' ' GLU . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 72' ' ' THR . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 68' ' ' LEU . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 82' ' ' LYS . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.345 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.51 ' O ' ' HE1' ' A' ' 75' ' ' MET . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 36' ' ' LYS . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 33' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD23 HD12 ' A' ' 43' ' ' ILE . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 37' ' ' THR . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' ALA . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.444 HD12 HD23 ' A' ' 38' ' ' LEU . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 76' ' ' ILE . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 58' ' ' VAL . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 51' ' ' VAL . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.823 HD13 HG21 ' A' ' 72' ' ' THR . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.823 HG21 HD13 ' A' ' 68' ' ' LEU . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.51 ' HE1' ' O ' ' A' ' 16' ' ' ASN . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.659 ' HB2' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HA ' HD13 ' A' ' 77' ' ' LEU . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.462 ' HB2' HD11 ' A' ' 77' ' ' LEU . 6.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.344 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG11 HG23 ' A' ' 37' ' ' THR . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 37.2 p-80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.643 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 HG11 ' A' ' 14' ' ' VAL . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' C ' HG22 ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD12 HD23 ' A' ' 38' ' ' LEU . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG21 HD11 ' A' ' 76' ' ' ILE . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 57' ' ' THR . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 52' ' ' LEU . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.828 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 64' ' ' PHE . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 67' ' ' THR . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HD2' HG13 ' A' ' 59' ' ' VAL . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.428 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 48' ' ' VAL . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.534 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.428 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 6.9 t90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.404 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.653 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 38' ' ' LEU . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 79' ' ' LYS . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' HD13 ' A' ' 47' ' ' LEU . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 58' ' ' VAL . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.601 ' HA ' HG12 ' A' ' 51' ' ' VAL . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' THR . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 63' ' ' GLU . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 47' ' ' LEU . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.537 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.435 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 55.9 p-80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.568 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 33' ' ' LEU . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HG11 ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HD12 ' A' ' 41' ' ' LEU . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 HD12 ' A' ' 43' ' ' ILE . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 37' ' ' THR . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.445 HD12 HD23 ' A' ' 38' ' ' LEU . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 33' ' ' LEU . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.903 ' HA ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 63' ' ' GLU . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 82' ' ' LYS . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.495 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG11 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.689 ' CE1' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.462 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 61' ' ' THR . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.547 ' CG2' HG11 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 43' ' ' ILE . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 38' ' ' LEU . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 78' ' ' GLU . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.875 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.697 HD12 ' HB ' ' A' ' 57' ' ' THR . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.697 ' HB ' HD12 ' A' ' 52' ' ' LEU . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.875 ' HA ' HG12 ' A' ' 51' ' ' VAL . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 57' ' ' THR . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 30' ' ' LEU . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.636 ' O ' HD22 ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 63' ' ' GLU . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.405 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' VAL . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.589 ' HA ' HG12 ' A' ' 48' ' ' VAL . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.689 HE22 ' CE1' ' A' ' 17' ' ' HIS . 18.1 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 6.3 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG11 HG23 ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.614 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CG1' HD22 ' A' ' 50' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.629 HG23 HG11 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 HD12 ' A' ' 43' ' ' ILE . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 42' ' ' VAL . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD23 ' A' ' 38' ' ' LEU . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 47' ' ' LEU . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 52' ' ' LEU . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 64' ' ' PHE . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.665 ' O ' HG23 ' A' ' 67' ' ' THR . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HG22 ' A' ' 59' ' ' VAL . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 72' ' ' THR . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.551 HG21 HD13 ' A' ' 68' ' ' LEU . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 82' ' ' LYS . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 77' ' ' LEU . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.517 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.511 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 9' ' ' ALA . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 59' ' ' VAL . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG1' HD22 ' A' ' 50' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.509 HG23 HG11 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 38' ' ' LEU . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 46' ' ' GLY . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD22 ' CG1' ' A' ' 34' ' ' ILE . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 58' ' ' VAL . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.734 HD12 ' HB ' ' A' ' 57' ' ' THR . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.53 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.734 ' HB ' HD12 ' A' ' 52' ' ' LEU . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' HD21 ' A' ' 30' ' ' LEU . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' GLU . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 72' ' ' THR . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.411 HG21 HD13 ' A' ' 68' ' ' LEU . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 82' ' ' LYS . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.53 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -56.95 -51.36 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -143.06 150.01 38.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 167.09 25.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -143.57 121.54 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -68.84 87.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.66 -177.14 54.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.51 60.18 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . -106.76 153.52 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.633 HG11 HG23 ' A' ' 37' ' ' THR . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.644 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.633 HG23 HG11 ' A' ' 14' ' ' VAL . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 43' ' ' ILE . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 42' ' ' VAL . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 38' ' ' LEU . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 67' ' ' THR . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 63' ' ' GLU . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 65' ' ' PHE . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 17' ' ' HIS . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -76.95 154.72 33.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.3 mtp -142.73 143.82 27.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.69 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.739 2.293 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.7 m -70.87 117.44 12.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.07 146.33 14.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -21.71 33.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.385 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.6 p -171.36 157.25 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.5 t -115.17 100.32 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 158.51 43.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -44.64 -49.77 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.88 90.52 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -145.88 168.5 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.6 146.52 8.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.94 69.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . -89.27 135.19 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.648 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.522 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.67 ' CG2' HG11 ' A' ' 14' ' ' VAL . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 43' ' ' ILE . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 37' ' ' THR . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 42' ' ' VAL . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 38' ' ' LEU . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 78' ' ' GLU . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 ' HB ' ' A' ' 57' ' ' THR . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.672 ' HB ' HD12 ' A' ' 52' ' ' LEU . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 76' ' ' ILE . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 82' ' ' LYS . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' HA ' HD13 ' A' ' 77' ' ' LEU . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -77.94 154.0 32.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 28.6 mtp -138.97 144.5 41.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.3 Cg_endo -69.74 -178.09 2.17 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.5 t -110.72 -35.27 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 -168.1 39.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 153.63 69.11 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -140.83 171.14 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 44.3 40.98 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -55.14 -56.24 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -96.62 112.43 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 153.78 25.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -124.19 152.47 42.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -120.12 162.13 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.85 165.49 30.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.78 59.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.43 138.73 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.966 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.755 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD22 HG12 ' A' ' 59' ' ' VAL . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.558 HG23 HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.899 HD23 HD12 ' A' ' 43' ' ' ILE . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.966 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.899 HD12 HD23 ' A' ' 38' ' ' LEU . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 47' ' ' LEU . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD12 ' HB ' ' A' ' 57' ' ' THR . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 52' ' ' LEU . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 HD22 ' A' ' 30' ' ' LEU . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 52' ' ' LEU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 82' ' ' LYS . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 -83.65 152.59 24.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.64 143.78 39.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.03 2.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -73.11 106.77 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.03 156.7 28.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -144.14 114.03 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -81.57 85.44 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.534 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -125.1 112.98 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -79.39 159.25 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.36 118.9 10.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -38.69 103.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -114.3 -61.33 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.03 -161.46 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 151.63 69.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -79.08 147.67 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 37' ' ' THR . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' NH1' ' C ' ' A' ' 85' ' ' PRO . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.65 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.446 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' A' ' 76' ' ' ILE . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.749 ' HA ' HG12 ' A' ' 51' ' ' VAL . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 64' ' ' PHE . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 63' ' ' GLU . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.0 m120 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 76' ' ' ILE . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HB2' ' NE2' ' A' ' 81' ' ' GLN . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.508 ' NE2' ' HB2' ' A' ' 78' ' ' GLU . 74.2 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 -82.61 155.09 24.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.416 ' N ' ' CD2' ' A' ' 83' ' ' TRP . 31.2 mtp -140.94 144.69 36.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.473 0.654 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.492 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 53.6 Cg_endo -69.74 -164.78 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 83.0 p -67.35 105.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.03 156.41 52.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.758 2.305 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -73.96 163.71 27.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 t -60.92 125.87 25.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -96.71 135.83 38.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 t -53.23 154.27 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.82 -132.5 0.72 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -121.6 -73.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -111.71 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.1 -72.36 1.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 168.69 20.71 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.728 2.285 . . . . 0.0 112.294 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.73 149.57 14.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG11 HG23 ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.54 HG23 HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLY . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 34' ' ' ILE . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.912 HG12 ' HA ' ' A' ' 58' ' ' VAL . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.912 ' HA ' HG12 ' A' ' 51' ' ' VAL . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 67' ' ' THR . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 63' ' ' GLU . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' VAL . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 -79.13 143.66 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.407 ' CE ' ' HE3' ' A' ' 82' ' ' LYS . 21.8 mtp -131.25 143.33 48.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -177.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -90.74 124.29 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.51 -174.0 41.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 91.31 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.258 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.0 p -89.98 177.23 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -96.19 149.34 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -82.77 -48.78 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -102.21 87.89 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.82 -143.91 7.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -106.58 105.02 14.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -87.15 -56.2 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.98 -179.28 26.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.56 57.86 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.73 146.42 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.551 HG11 HG23 ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.551 HG23 HG11 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 43' ' ' ILE . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 38' ' ' LEU . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' CG2' HD21 ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 72' ' ' THR . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 68' ' ' LEU . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 -83.17 143.96 30.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mtp -132.2 144.26 52.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.2 p -89.07 -6.79 56.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.44 169.8 25.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -76.62 127.89 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 50.88 40.97 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.58 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -153.15 160.32 42.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -126.24 97.45 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.31 172.36 14.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -165.26 129.35 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -125.96 123.32 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.06 146.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.12 66.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.45 133.11 25.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.727 HH11 ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 36' ' ' LYS . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 26' ' ' MET . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.609 ' HB3' HG11 ' A' ' 25' ' ' VAL . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.422 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 43' ' ' ILE . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HB1' HH11 ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 38' ' ' LEU . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 51' ' ' VAL . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 72' ' ' THR . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 HD13 ' A' ' 68' ' ' LEU . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.536 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LYS . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -71.8 149.01 45.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.4 mtp -141.26 143.59 31.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -178.65 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.728 2.286 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 p -66.29 102.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.89 151.05 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 174.4 9.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' SER . 62.2 p -152.33 162.74 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' SER . 80.7 p -34.51 -44.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -159.74 147.81 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -133.1 98.57 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.86 145.72 19.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.04 124.73 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.79 -45.64 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.14 151.87 8.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.13 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.13 139.45 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 54.8 p-80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 HH12 ' CA ' ' A' ' 86' ' ' SER . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 50' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 43' ' ' ILE . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 38' ' ' LEU . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' TRP . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 57' ' ' THR . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.846 ' HB ' HD12 ' A' ' 52' ' ' LEU . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 67' ' ' THR . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.529 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.527 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 -74.41 146.15 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.2 mtp -130.02 143.53 49.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.405 ' CA ' HH12 ' A' ' 19' ' ' ARG . 30.5 t -116.11 -30.25 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.45 164.71 43.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.587 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.51 25.06 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 t -173.68 135.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 m -105.09 156.24 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -118.62 108.06 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -116.51 102.8 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.54 97.3 2.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -111.24 146.38 37.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -143.65 167.31 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.24 156.3 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 153.68 68.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.24 139.49 38.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.044 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' NE2' ' A' ' 73' ' ' HIS . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' O ' ' HE1' ' A' ' 75' ' ' MET . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.827 HH11 HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 HH11 ' A' ' 23' ' ' ARG . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 34' ' ' ILE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD11 HD11 ' A' ' 30' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 43' ' ' ILE . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 37' ' ' THR . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 38' ' ' LEU . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.939 ' HA ' HG12 ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.425 ' NE2' ' HD2' ' A' ' 13' ' ' ARG . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.654 ' HB2' HE21 ' A' ' 81' ' ' GLN . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.654 HE21 ' HB2' ' A' ' 78' ' ' GLU . 35.6 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.463 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 2.1 t90 -86.96 146.56 26.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.0 mtp -131.3 143.55 49.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.527 0.68 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.24 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.7 t -50.76 120.95 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.04 160.87 10.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 1.0 4.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -55.8 144.89 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.8 t -88.1 120.13 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 56.34 41.95 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -137.34 117.02 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.42 88.72 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -126.57 158.68 35.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -162.25 116.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.51 152.84 27.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 175.59 7.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.25 143.4 26.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.504 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.571 ' CG2' HG11 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.886 HD12 HD23 ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.572 ' N ' HD13 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 82' ' ' LYS . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.487 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -85.04 144.22 28.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.1 mtp -130.66 143.72 50.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.7 2.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 t -90.21 125.37 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.55 157.9 25.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.92 32.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.3 m -103.37 172.2 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -133.32 150.25 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t 50.71 42.36 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -85.55 102.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.11 179.93 24.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 87.8 p 35.79 42.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -98.69 174.8 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -157.99 8.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.26 30.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.98 49.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG12 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 43' ' ' ILE . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD12 HD23 ' A' ' 38' ' ' LEU . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HB2' ' A' ' 73' ' ' HIS . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.886 ' HA ' HG12 ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 63' ' ' GLU . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.448 ' HB2' ' CD ' ' A' ' 53' ' ' GLU . 23.2 m-70 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 83' ' ' TRP . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.64 ' HB2' HE21 ' A' ' 81' ' ' GLN . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.64 HE21 ' HB2' ' A' ' 78' ' ' GLU . 31.8 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 1.5 t90 -78.96 153.36 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.5 mtp -140.94 143.73 32.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.8 Cg_endo -69.77 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -44.64 121.5 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.35 145.77 17.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 140.03 42.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 165.49 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.6 p -145.22 133.07 21.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -54.66 172.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -113.2 146.75 38.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 160.15 2.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -149.31 171.43 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -148.03 148.85 31.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.88 146.11 7.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.75 18.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.18 142.64 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.92 HH11 HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.92 HG22 HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.427 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 43' ' ' ILE . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 38' ' ' LEU . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.805 ' CG2' HD11 ' A' ' 76' ' ' ILE . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' HD12 ' A' ' 52' ' ' LEU . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 63' ' ' GLU . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.805 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 82' ' ' LYS . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' ' 77' ' ' LEU . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -79.3 146.21 33.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 34.9 mtp -135.05 143.72 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.62 2.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.61 2.206 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -82.33 124.37 29.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.03 -158.16 29.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 154.94 66.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.6 m -152.51 157.25 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -75.38 108.04 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.423 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -81.73 109.28 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -116.29 87.13 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.77 109.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -95.36 113.61 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -117.7 80.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 162.35 12.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 145.42 57.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.359 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.29 138.17 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.718 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 23' ' ' ARG . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 41' ' ' LEU . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.718 ' HB1' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 37' ' ' THR . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 67' ' ' THR . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 63' ' ' GLU . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 72' ' ' THR . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 68' ' ' LEU . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 82' ' ' LYS . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 -82.7 149.62 27.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.0 mtp -137.37 144.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.1 p -74.52 105.13 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.58 162.57 24.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -63.55 110.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 t -95.31 154.23 17.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -106.54 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -126.21 89.06 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 -139.75 11.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -106.36 168.12 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -113.85 166.63 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 -158.01 10.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 127.39 14.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.01 41.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.51 ' O ' ' HE1' ' A' ' 75' ' ' MET . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 36' ' ' LYS . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 33' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD23 HD12 ' A' ' 43' ' ' ILE . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 37' ' ' THR . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' ALA . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 HD12 HD23 ' A' ' 38' ' ' LEU . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 76' ' ' ILE . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 58' ' ' VAL . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 51' ' ' VAL . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.823 HD13 HG21 ' A' ' 72' ' ' THR . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.823 HG21 HD13 ' A' ' 68' ' ' LEU . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.51 ' HE1' ' O ' ' A' ' 16' ' ' ASN . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.659 ' HB2' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HA ' HD13 ' A' ' 77' ' ' LEU . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 6.5 t90 -86.11 154.24 21.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.3 mtp -145.09 143.79 21.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.1 Cg_endo -69.82 -177.08 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -96.04 -45.17 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.98 -173.51 15.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 119.97 6.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.3 p -147.86 164.31 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.5 p -125.53 128.88 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -118.17 159.9 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.78 130.7 11.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 -109.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -145.52 141.2 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -117.43 94.24 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.56 174.18 34.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 130.35 19.28 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.718 2.279 . . . . 0.0 112.301 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.69 153.13 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG11 HG23 ' A' ' 37' ' ' THR . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CG ' ' OE1' ' A' ' 81' ' ' GLN . 37.2 p-80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' NH1' ' N ' ' A' ' 86' ' ' SER . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.643 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 HG11 ' A' ' 14' ' ' VAL . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' C ' HG22 ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD12 HD23 ' A' ' 38' ' ' LEU . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG21 HD11 ' A' ' 76' ' ' ILE . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 57' ' ' THR . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 52' ' ' LEU . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.828 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 64' ' ' PHE . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 67' ' ' THR . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HD2' HG13 ' A' ' 59' ' ' VAL . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.9 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.428 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 48' ' ' VAL . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.534 ' OE1' ' CG ' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.428 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 6.9 t90 -81.76 146.47 29.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mtp -138.64 143.94 40.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 54.4 Cg_endo -69.79 -177.99 2.14 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.459 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 53.5 p -47.19 117.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 147.07 151.15 5.35 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.419 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 135.91 31.69 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.7 m -87.97 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.0 t -92.57 80.04 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' SER . 88.9 p -129.17 133.77 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' SER . 82.8 p 37.29 41.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.9 -155.97 16.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -85.02 98.11 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -41.58 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 173.43 35.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.41 68.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -57.43 148.43 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.404 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.653 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 38' ' ' LEU . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 79' ' ' LYS . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' HD13 ' A' ' 47' ' ' LEU . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 58' ' ' VAL . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.601 ' HA ' HG12 ' A' ' 51' ' ' VAL . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' THR . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 63' ' ' GLU . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 47' ' ' LEU . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.537 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -85.16 148.71 25.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 33.2 mtp -132.02 145.72 58.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 83' ' ' TRP . 54.2 Cg_endo -69.71 -179.28 2.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.408 ' CA ' HH12 ' A' ' 19' ' ' ARG . 9.1 t -115.64 25.79 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.2 175.57 17.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.9 -26.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -57.19 142.75 41.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.9 m 51.14 41.04 27.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m 64.07 41.55 6.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.794 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -95.13 158.8 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -119.13 3.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -151.46 160.89 43.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.67 -42.16 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 -157.92 7.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -177.3 1.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . -161.09 164.21 30.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.435 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 55.9 p-80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.568 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 33' ' ' LEU . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HG11 ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HD12 ' A' ' 41' ' ' LEU . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 HD12 ' A' ' 43' ' ' ILE . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 37' ' ' THR . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.445 HD12 HD23 ' A' ' 38' ' ' LEU . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 33' ' ' LEU . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.903 ' HA ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 63' ' ' GLU . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 82' ' ' LYS . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.495 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 -85.92 145.61 27.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 mtp -131.49 143.7 50.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.59 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.287 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -99.13 129.1 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.24 166.99 29.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.422 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -11.12 30.21 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -79.77 51.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -139.53 171.69 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -113.38 159.86 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -73.64 154.81 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 94.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -132.63 43.93 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -145.03 114.55 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.37 145.21 5.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.65 33.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -100.89 137.5 39.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG11 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.689 ' CE1' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.462 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 61' ' ' THR . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.547 ' CG2' HG11 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 43' ' ' ILE . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 42' ' ' VAL . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 38' ' ' LEU . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 78' ' ' GLU . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.875 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.697 HD12 ' HB ' ' A' ' 57' ' ' THR . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.697 ' HB ' HD12 ' A' ' 52' ' ' LEU . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.875 ' HA ' HG12 ' A' ' 51' ' ' VAL . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 57' ' ' THR . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 30' ' ' LEU . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.636 ' O ' HD22 ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 63' ' ' GLU . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.405 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' VAL . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' HA ' HG12 ' A' ' 48' ' ' VAL . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.689 HE22 ' CE1' ' A' ' 17' ' ' HIS . 18.1 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.435 ' CG ' ' N ' ' A' ' 84' ' ' MET . 6.3 t90 -83.15 157.04 22.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.435 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 31.0 mtp -142.71 143.71 27.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 p -105.81 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.84 -178.29 16.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.98 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -132.24 87.68 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 79.5 p -54.78 165.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -41.82 160.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -112.43 -44.39 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.0 103.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -101.45 95.72 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -48.51 -58.73 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 165.99 20.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.49 49.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.22 151.46 19.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG11 HG23 ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.614 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CG1' HD22 ' A' ' 50' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.629 HG23 HG11 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 HD12 ' A' ' 43' ' ' ILE . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 42' ' ' VAL . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD23 ' A' ' 38' ' ' LEU . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 47' ' ' LEU . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 52' ' ' LEU . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 64' ' ' PHE . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.665 ' O ' HG23 ' A' ' 67' ' ' THR . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HG22 ' A' ' 59' ' ' VAL . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 72' ' ' THR . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.551 HG21 HD13 ' A' ' 68' ' ' LEU . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 76' ' ' ILE . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 82' ' ' LYS . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 77' ' ' LEU . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.517 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -93.57 151.65 19.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 29.3 mtp -136.3 143.98 45.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.527 0.68 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -106.7 175.76 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 150.62 5.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.94 5.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -162.77 108.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -65.4 170.54 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.5 p -48.47 -47.57 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.893 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.3 p 37.78 42.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.04 138.05 8.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -45.45 142.14 2.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -90.48 -46.98 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 172.84 17.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.16 49.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -97.97 158.22 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.511 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 9' ' ' ALA . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 59' ' ' VAL . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG1' HD22 ' A' ' 50' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.509 HG23 HG11 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 38' ' ' LEU . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 46' ' ' GLY . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD22 ' CG1' ' A' ' 34' ' ' ILE . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 58' ' ' VAL . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.734 HD12 ' HB ' ' A' ' 57' ' ' THR . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.53 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.734 ' HB ' HD12 ' A' ' 52' ' ' LEU . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' HD21 ' A' ' 30' ' ' LEU . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' GLU . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 72' ' ' THR . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.411 HG21 HD13 ' A' ' 68' ' ' LEU . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 82' ' ' LYS . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.53 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 -76.03 151.45 37.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.3 mtp -142.84 143.76 26.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.6 Cg_endo -69.8 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 19' ' ' ARG . 39.8 p -99.01 -42.77 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.86 -158.55 33.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.17 64.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -151.58 160.62 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 m -123.58 118.38 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.752 0.311 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.633 HG11 HG23 ' A' ' 37' ' ' THR . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.644 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.633 HG23 HG11 ' A' ' 14' ' ' VAL . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 43' ' ' ILE . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 42' ' ' VAL . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 38' ' ' LEU . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 67' ' ' THR . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 63' ' ' GLU . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 65' ' ' PHE . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 17' ' ' HIS . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.447 ' CD2' HE22 ' A' ' 81' ' ' GLN . 11.9 p80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.648 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.522 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.67 ' CG2' HG11 ' A' ' 14' ' ' VAL . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 43' ' ' ILE . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 37' ' ' THR . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 38' ' ' LEU . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 78' ' ' GLU . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 ' HB ' ' A' ' 57' ' ' THR . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.672 ' HB ' HD12 ' A' ' 52' ' ' LEU . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 17.1 m80 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 82' ' ' LYS . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.447 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.493 ' HA ' HD13 ' A' ' 77' ' ' LEU . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.743 0.306 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' HE22 ' A' ' 81' ' ' GLN . 10.2 p80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.966 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.755 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 HD22 HG12 ' A' ' 59' ' ' VAL . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.558 HG23 HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.899 HD23 HD12 ' A' ' 43' ' ' ILE . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.966 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.899 HD12 HD23 ' A' ' 38' ' ' LEU . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 47' ' ' LEU . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD12 ' HB ' ' A' ' 57' ' ' THR . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 52' ' ' LEU . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 HD22 ' A' ' 30' ' ' LEU . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 52' ' ' LEU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 82' ' ' LYS . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.466 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.752 0.31 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 37' ' ' THR . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.65 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.446 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' A' ' 76' ' ' ILE . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.749 ' HA ' HG12 ' A' ' 51' ' ' VAL . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 64' ' ' PHE . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 63' ' ' GLU . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 76' ' ' ILE . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.75 0.309 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG11 HG23 ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.54 HG23 HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLY . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 34' ' ' ILE . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.912 HG12 ' HA ' ' A' ' 58' ' ' VAL . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.912 ' HA ' HG12 ' A' ' 51' ' ' VAL . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 67' ' ' THR . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 63' ' ' GLU . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' VAL . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.819 0.342 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.551 HG11 HG23 ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.693 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.551 HG23 HG11 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 43' ' ' ILE . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 38' ' ' LEU . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' CG2' HD21 ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 72' ' ' THR . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 68' ' ' LEU . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.454 ' CG ' HE22 ' A' ' 81' ' ' GLN . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.727 HH11 ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 36' ' ' LYS . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 26' ' ' MET . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.609 ' HB3' HG11 ' A' ' 25' ' ' VAL . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.422 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 43' ' ' ILE . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HB1' HH11 ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 38' ' ' LEU . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 51' ' ' VAL . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 72' ' ' THR . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 HD13 ' A' ' 68' ' ' LEU . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.536 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LYS . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.454 HE22 ' CG ' ' A' ' 17' ' ' HIS . 13.5 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 14.9 t90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 20.8 p80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 50' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 43' ' ' ILE . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 38' ' ' LEU . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' TRP . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 57' ' ' THR . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.846 ' HB ' HD12 ' A' ' 52' ' ' LEU . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 67' ' ' THR . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.585 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.527 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.838 0.351 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' NE2' ' A' ' 73' ' ' HIS . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.463 ' CG ' HE22 ' A' ' 81' ' ' GLN . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.827 HH11 HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 HH11 ' A' ' 23' ' ' ARG . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 34' ' ' ILE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD11 HD11 ' A' ' 30' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 43' ' ' ILE . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 37' ' ' THR . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 38' ' ' LEU . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.939 ' HA ' HG12 ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.425 ' NE2' ' HD2' ' A' ' 13' ' ' ARG . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.463 HE22 ' CG ' ' A' ' 17' ' ' HIS . 7.5 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.463 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 2.1 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.821 0.343 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.571 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 7.7 p80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.504 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.571 ' CG2' HG11 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.886 HD12 HD23 ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.572 ' N ' HD13 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 82' ' ' LYS . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.487 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 21.2 p80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CG ' ' CE1' ' A' ' 17' ' ' HIS . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG12 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 43' ' ' ILE . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD12 HD23 ' A' ' 38' ' ' LEU . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HB2' ' A' ' 73' ' ' HIS . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.886 ' HA ' HG12 ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 63' ' ' GLU . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 8.3 m80 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 83' ' ' TRP . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.469 HE22 ' CG ' ' A' ' 17' ' ' HIS . 5.3 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.405 ' CD2' ' C ' ' A' ' 83' ' ' TRP . 1.5 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.92 HH11 HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.92 HG22 HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.427 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 43' ' ' ILE . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 38' ' ' LEU . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.805 ' CG2' HD11 ' A' ' 76' ' ' ILE . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' HD12 ' A' ' 52' ' ' LEU . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 63' ' ' GLU . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.805 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 82' ' ' LYS . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' ' 77' ' ' LEU . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CD2' HE22 ' A' ' 81' ' ' GLN . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.718 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 23' ' ' ARG . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 41' ' ' LEU . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.718 ' HB1' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 37' ' ' THR . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 67' ' ' THR . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 63' ' ' GLU . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 72' ' ' THR . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 68' ' ' LEU . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 82' ' ' LYS . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.536 HE22 ' CD2' ' A' ' 17' ' ' HIS . 11.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.345 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.51 ' O ' ' HE1' ' A' ' 75' ' ' MET . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 36' ' ' LYS . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 33' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD23 HD12 ' A' ' 43' ' ' ILE . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 37' ' ' THR . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' ALA . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.444 HD12 HD23 ' A' ' 38' ' ' LEU . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 76' ' ' ILE . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 58' ' ' VAL . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 51' ' ' VAL . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.823 HD13 HG21 ' A' ' 72' ' ' THR . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.823 HG21 HD13 ' A' ' 68' ' ' LEU . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.51 ' HE1' ' O ' ' A' ' 16' ' ' ASN . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.659 ' HB2' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HA ' HD13 ' A' ' 77' ' ' LEU . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.462 ' HB2' HD11 ' A' ' 77' ' ' LEU . 6.5 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.344 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.582 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG11 HG23 ' A' ' 37' ' ' THR . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 25.0 p80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.643 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 HG11 ' A' ' 14' ' ' VAL . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' C ' HG22 ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD12 HD23 ' A' ' 38' ' ' LEU . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG21 HD11 ' A' ' 76' ' ' ILE . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 57' ' ' THR . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 52' ' ' LEU . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.828 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 64' ' ' PHE . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 67' ' ' THR . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HD2' HG13 ' A' ' 59' ' ' VAL . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 36.3 m80 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.428 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 48' ' ' VAL . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.428 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 6.9 t90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 120.818 0.342 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.404 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.653 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 38' ' ' LEU . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 79' ' ' LYS . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' HD13 ' A' ' 47' ' ' LEU . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 58' ' ' VAL . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.601 ' HA ' HG12 ' A' ' 51' ' ' VAL . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' THR . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 63' ' ' GLU . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 47' ' ' LEU . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.537 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.763 0.316 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.435 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 18.2 p80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.568 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 33' ' ' LEU . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HG11 ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HD12 ' A' ' 41' ' ' LEU . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 HD12 ' A' ' 43' ' ' ILE . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 37' ' ' THR . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.445 HD12 HD23 ' A' ' 38' ' ' LEU . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 33' ' ' LEU . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.903 ' HA ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 63' ' ' GLU . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 20.9 m80 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 82' ' ' LYS . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.495 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG11 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CD2' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.462 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 61' ' ' THR . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.547 ' CG2' HG11 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 43' ' ' ILE . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 42' ' ' VAL . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 38' ' ' LEU . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 78' ' ' GLU . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.875 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.697 HD12 ' HB ' ' A' ' 57' ' ' THR . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.697 ' HB ' HD12 ' A' ' 52' ' ' LEU . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.875 ' HA ' HG12 ' A' ' 51' ' ' VAL . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 57' ' ' THR . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 30' ' ' LEU . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.636 ' O ' HD22 ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 63' ' ' GLU . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.405 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' VAL . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.589 ' HA ' HG12 ' A' ' 48' ' ' VAL . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.519 HE22 ' CD2' ' A' ' 17' ' ' HIS . 20.7 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 6.3 t90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG11 HG23 ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.614 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CG1' HD22 ' A' ' 50' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.629 HG23 HG11 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 HD12 ' A' ' 43' ' ' ILE . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 42' ' ' VAL . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD23 ' A' ' 38' ' ' LEU . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 47' ' ' LEU . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 52' ' ' LEU . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 64' ' ' PHE . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.665 ' O ' HG23 ' A' ' 67' ' ' THR . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HG22 ' A' ' 59' ' ' VAL . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 72' ' ' THR . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.551 HG21 HD13 ' A' ' 68' ' ' LEU . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.523 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 10.9 m80 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 82' ' ' LYS . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 77' ' ' LEU . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.517 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.511 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 9' ' ' ALA . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 59' ' ' VAL . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG1' HD22 ' A' ' 50' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.509 HG23 HG11 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 38' ' ' LEU . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 46' ' ' GLY . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD22 ' CG1' ' A' ' 34' ' ' ILE . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 58' ' ' VAL . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.734 HD12 ' HB ' ' A' ' 57' ' ' THR . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.53 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.734 ' HB ' HD12 ' A' ' 52' ' ' LEU . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' HD21 ' A' ' 30' ' ' LEU . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' GLU . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 72' ' ' THR . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.411 HG21 HD13 ' A' ' 68' ' ' LEU . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 82' ' ' LYS . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.53 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -56.95 -51.36 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.1 p -143.06 150.01 38.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 167.09 25.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -143.57 121.54 12.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.925 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -68.84 87.13 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.66 -177.14 54.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.51 60.18 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.614 2.209 . . . . 0.0 112.39 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . -106.76 153.52 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -105.7 143.72 27.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.487 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.67 147.91 64.5 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.276 . . . . 0.0 112.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 58.3 m-85 -153.49 150.08 28.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -101.53 155.71 17.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.633 HG11 HG23 ' A' ' 37' ' ' THR . 10.5 t -142.96 145.35 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.2 m -144.96 140.43 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.98 177.14 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.411 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 21.7 p80 -56.06 -34.26 65.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 11.7 t0 -75.01 4.69 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 20.2 mtp180 35.78 45.9 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.0 t -120.51 -34.64 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 m -85.89 150.58 24.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -134.41 114.26 12.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.644 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -123.64 121.14 34.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.644 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -93.02 102.2 2.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' HD3' ' A' ' 23' ' ' ARG . 16.5 t -106.26 145.18 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.9 ptm -118.44 131.31 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -149.09 149.44 31.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -76.62 -34.61 58.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 5.1 m -129.29 -176.24 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 24.8 tp -75.27 -55.39 5.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -46.55 -48.67 19.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -54.79 -57.46 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -46.92 -67.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 33' ' ' LEU . 57.8 mt -36.3 -54.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -56.43 -41.99 77.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LEU . 27.7 mttp -65.66 -55.89 15.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.633 HG23 HG11 ' A' ' 14' ' ' VAL . 29.3 m -38.83 -58.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 43' ' ' ILE . 10.4 mt -46.63 -49.66 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.61 -43.79 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.57 -59.24 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.87 2.7 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.549 ' O ' HG12 ' A' ' 42' ' ' VAL . 21.3 t 40.26 44.95 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.099 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 38' ' ' LEU . 58.2 mt -56.82 139.39 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.42 -59.4 4.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 t -101.95 174.74 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -100.57 -34.16 4.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.56 99.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.5 m -144.1 169.04 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 83.2 m -127.1 123.68 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.5 tp -95.34 129.73 42.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 58' ' ' VAL . 21.5 m -139.64 176.67 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.9 mt -81.5 137.87 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.553 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.7 tp10 -82.72 18.7 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 14.4 pt-20 -110.12 -49.57 3.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 m-20 -124.86 -22.74 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.36 32.45 6.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.3 m -85.79 115.98 23.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.9 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.7 p -61.61 123.58 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.3 t -95.29 93.4 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -115.27 21.19 14.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.22 139.87 51.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -75.58 -38.64 58.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 67' ' ' THR . 9.0 pt-20 -60.55 -31.28 70.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.33 -26.24 30.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -81.08 -22.88 38.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -81.27 -12.22 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 63' ' ' GLU . 80.8 p -92.87 -31.4 14.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 65' ' ' PHE . 23.6 mt -53.95 135.0 43.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.98 -166.08 6.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.86 157.81 22.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 49.41 50.25 18.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 98.3 m -82.58 124.99 30.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.7 t-160 -73.35 133.6 43.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.99 164.83 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.411 ' HE1' ' HA ' ' A' ' 17' ' ' HIS . 19.4 tpp -131.82 122.74 26.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 tp -99.24 139.82 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.16 138.04 41.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -85.18 175.06 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -60.84 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.57 37.57 0.32 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.51 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -145.23 144.59 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -116.01 163.83 15.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -76.95 154.72 33.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.3 mtp -142.73 143.82 27.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.868 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.69 3.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.739 2.293 . . . . 0.0 112.298 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.7 m -70.87 117.44 12.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.07 146.33 14.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -21.71 33.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.385 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.6 p -171.36 157.25 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.5 t -115.17 100.32 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.233 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -134.39 158.51 43.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.5 p -44.64 -49.77 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.88 90.52 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -145.88 168.5 20.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.6 146.52 8.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 150.94 69.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' HB3' ' CE ' ' A' ' 26' ' ' MET . . . -89.27 135.19 33.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt85 -101.87 144.05 27.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.7 Cg_endo -69.74 148.63 65.58 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 57.1 m-85 -153.09 144.93 23.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -100.15 142.73 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.4 t -127.54 146.98 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -142.68 142.24 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.0 p30 -68.25 177.44 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.447 ' CD2' HE22 ' A' ' 81' ' ' GLN . 11.9 p80 -58.07 -38.8 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 19' ' ' ARG . 33.9 t70 -83.72 15.27 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 67.2 mtm180 36.22 47.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.826 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -112.0 -36.69 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.795 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -86.07 149.25 25.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -134.15 113.73 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.07 121.13 22.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.648 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.05 107.13 3.5 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 51.0 t -108.0 149.22 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.522 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 13.0 ptm -121.18 136.16 55.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -153.09 157.14 39.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.1 p -81.48 -23.58 37.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.11 -177.03 5.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 5.7 tp -74.7 -50.62 16.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -49.96 -53.5 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -52.76 -45.55 67.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.4 tm? -58.3 -64.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' N ' HD13 ' A' ' 33' ' ' LEU . 81.6 mt -38.72 -54.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -56.68 -38.5 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 24.2 mttm -67.07 -57.64 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.67 ' CG2' HG11 ' A' ' 14' ' ' VAL . 3.8 m -39.26 -38.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.471 ' HA ' HD12 ' A' ' 43' ' ' ILE . 7.0 mt -64.22 -45.29 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' LYS . 29.7 t70 -70.91 -45.2 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -59.43 -56.86 16.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 37' ' ' THR . 18.7 mt -72.4 -1.49 15.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 42' ' ' VAL . 17.6 t 44.68 48.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 38' ' ' LEU . 35.5 mt -69.41 139.58 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.14 -60.1 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.8 t -85.34 157.5 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.83 -31.91 6.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -63.42 95.64 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 78' ' ' GLU . 35.1 m -142.03 165.8 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 m -127.58 128.96 46.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 33' ' ' LEU . 9.7 tp -96.24 132.5 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 58' ' ' VAL . 28.8 m -140.76 173.03 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 ' HB ' ' A' ' 57' ' ' THR . 84.1 mt -77.71 137.82 38.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.1 16.61 1.88 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.536 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 5.7 pt-20 -112.28 -50.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 95.4 m-20 -125.51 -7.24 6.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.805 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.531 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 75.92 34.06 48.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.672 ' HB ' HD12 ' A' ' 52' ' ' LEU . 32.6 m -84.46 104.35 14.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.76 0.314 . . . . 0.0 111.086 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 51' ' ' VAL . 3.8 p -51.75 120.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.6 t -97.7 102.59 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -112.63 -7.3 13.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 p -103.82 145.72 29.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.219 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -81.24 -33.45 32.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 10.9 pt-20 -59.41 -40.14 85.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 33.8 t80 -75.03 -36.85 61.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -70.62 -25.06 62.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -79.78 -14.6 58.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.2 p -92.54 -25.32 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.13 128.09 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -56.47 -168.12 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.32 167.39 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 49.21 34.34 6.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.5 m -71.37 125.27 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 17.1 m80 -76.38 132.67 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.73 164.76 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 14.1 ttm -130.69 123.43 29.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 76' ' ' ILE . 3.2 tp -98.98 124.25 52.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 82' ' ' LYS . 28.2 mt -116.58 128.11 55.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.587 ' HA ' HG12 ' A' ' 48' ' ' VAL . 2.2 mp0 -77.87 173.08 12.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -61.79 87.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.72 33.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.447 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.7 mt-30 -143.16 159.4 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' HA ' HD13 ' A' ' 77' ' ' LEU . 37.3 pttt -136.16 157.45 46.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -77.94 154.0 32.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 28.6 mtp -138.97 144.5 41.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.3 Cg_endo -69.74 -178.09 2.17 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.5 t -110.72 -35.27 6.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -92.74 -168.1 39.48 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 153.63 69.11 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -140.83 171.14 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 44.3 40.98 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -55.14 -56.24 22.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -96.62 112.43 24.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.41 153.78 25.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -124.19 152.47 42.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -120.12 162.13 19.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.85 165.49 30.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 157.78 59.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.43 138.73 40.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 12' ' ' PHE . 8.8 ptt-85 -103.8 149.96 37.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.614 0.721 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.07 63.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 10' ' ' ARG . 63.0 m-85 -139.81 162.82 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.1 mmt180 -117.19 136.93 52.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG11 HG23 ' A' ' 37' ' ' THR . 6.8 t -129.63 142.48 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.7 m -143.76 134.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.15 177.89 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' HE22 ' A' ' 81' ' ' GLN . 10.2 p80 -59.8 -29.29 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 48.9 t0 -74.73 4.59 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' ASP . 11.1 mtp180 35.12 34.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.1 t -116.0 -31.21 5.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.6 m -89.36 147.82 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' HD3' ' NH1' ' A' ' 13' ' ' ARG . 64.8 mtt85 -136.53 114.31 11.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.966 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -122.26 121.12 36.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.755 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -89.8 128.4 9.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' PHE . 17.5 t -134.93 144.01 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.4 ptm -116.08 132.2 56.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.86 173.8 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 t -102.71 -18.51 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.31 176.31 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 HD22 HG12 ' A' ' 59' ' ' VAL . 3.7 tp -72.1 -36.34 69.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -67.39 -53.23 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -50.87 -41.75 58.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ILE . 36.7 tp -62.59 -66.32 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 30' ' ' LEU . 42.7 mt -35.34 -68.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.7 t -40.56 -51.7 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ASP . 20.5 mtmt -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.558 HG23 HG11 ' A' ' 14' ' ' VAL . 31.1 m -37.87 -53.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.899 HD23 HD12 ' A' ' 43' ' ' ILE . 17.0 mt -53.02 -39.22 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' LYS . 13.5 t0 -72.78 -49.98 27.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.966 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -54.45 -55.48 28.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -71.71 -11.48 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t 55.48 49.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.899 HD12 HD23 ' A' ' 38' ' ' LEU . 80.7 mt -68.69 151.42 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.49 -51.75 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 t -93.57 149.38 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.35 -30.78 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -65.86 111.69 3.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.868 0.366 . . . . 0.0 110.942 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 47' ' ' LEU . 33.8 m -153.41 163.07 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.8 m -127.98 127.08 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -92.6 130.72 38.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.86 173.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD12 ' HB ' ' A' ' 57' ' ' THR . 83.6 mt -81.94 137.42 35.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -81.64 15.69 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 21.3 pt-20 -107.17 -51.63 2.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 24.4 t70 -124.45 -17.49 6.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 92.76 22.26 28.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.737 ' HB ' HD12 ' A' ' 52' ' ' LEU . 31.2 m -76.39 117.63 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.775 0.321 . . . . 0.0 111.183 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.72 128.75 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG12 HD22 ' A' ' 30' ' ' LEU . 20.9 t -98.01 104.9 16.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -113.15 -6.49 13.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.4 p -111.42 146.03 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -79.39 -34.81 41.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 64' ' ' PHE . 11.3 pt-20 -54.92 -41.2 70.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.647 ' CE2' HD11 ' A' ' 52' ' ' LEU . 31.5 t80 -73.07 -40.74 64.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -69.51 -26.73 64.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.84 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.01 -27.5 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.7 p -77.95 -33.32 51.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.465 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 69.2 mt -50.41 136.18 20.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 -165.37 3.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -87.17 145.27 26.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 62.49 41.06 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 79.9 m -73.22 125.85 28.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.433 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 6.6 m80 -72.28 128.36 35.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.465 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 65.0 m-85 -124.41 163.94 20.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.1 ttm -126.89 125.37 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -103.1 123.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 82' ' ' LYS . 78.2 mt -113.7 138.72 49.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.23 174.85 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -62.21 81.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.75 42.06 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.466 HE22 ' CD2' ' A' ' 17' ' ' HIS . 15.4 mt-30 -150.36 159.23 44.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' HA ' HD13 ' A' ' 77' ' ' LEU . 42.9 pttt -129.91 171.61 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.491 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.1 t90 -83.65 152.59 24.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.64 143.78 39.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.544 0.688 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -178.03 2.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.619 2.213 . . . . 0.0 112.375 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.8 p -73.11 106.77 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.03 156.7 28.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 m -144.14 114.03 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -81.57 85.44 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.534 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.416 -0.273 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -125.1 112.98 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -79.39 159.25 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.36 118.9 10.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -38.69 103.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -114.3 -61.33 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.03 -161.46 29.98 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.444 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.69 151.63 69.49 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -79.08 147.67 32.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 64.3 mtt180 -103.58 148.3 35.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.563 0.697 . . . . 0.0 110.832 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 57.7 m-85 -147.61 143.72 27.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -101.41 148.99 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.889 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG11 ' CG2' ' A' ' 37' ' ' THR . 15.6 t -133.57 135.68 55.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.4 m -133.2 140.72 47.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 29.0 p30 -61.07 175.96 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -60.9 -30.91 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 28.8 t70 -86.67 11.43 12.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' NH1' ' C ' ' A' ' 85' ' ' PRO . 38.2 mtp180 40.12 48.92 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -117.19 -34.62 4.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -89.4 154.67 19.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -140.74 113.9 8.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.83 121.14 22.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.65 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.04 109.92 3.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 t -108.82 143.41 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.446 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 27.3 mtp -107.62 102.12 11.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.08 151.88 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -82.38 -30.12 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.57 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.3 m -139.21 -177.48 4.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.74 -58.21 5.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -50.53 -46.07 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -54.77 -48.08 73.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 18.1 tp -58.74 -71.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 33' ' ' LEU . 90.4 mt -34.02 -65.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -45.89 -48.03 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -59.45 -53.4 58.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' ALA . 7.5 m -39.1 -59.68 0.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.3 mt -38.45 -43.54 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.79 -39.68 73.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' THR . . . -63.42 -62.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.06 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.33 -6.07 32.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t 48.78 47.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.2 mt -68.26 130.19 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.76 87.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.8 t -83.81 160.6 21.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.26 -36.27 2.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -66.68 105.07 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' CG2' HD11 ' A' ' 76' ' ' ILE . 19.5 m -143.86 161.09 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.1 m -127.24 125.25 40.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -91.69 133.55 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.6 m -139.81 171.74 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.01 136.09 41.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' OE2' ' CZ ' ' A' ' 19' ' ' ARG . 1.8 tm-20 -81.31 14.21 2.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 22.5 pt-20 -106.99 -49.88 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -124.37 -17.91 5.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.534 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 89.96 41.0 5.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.509 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.7 m -92.3 120.51 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.749 ' HA ' HG12 ' A' ' 51' ' ' VAL . 6.9 p -66.4 116.19 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG13 ' HD2' ' A' ' 64' ' ' PHE . 13.4 t -91.61 101.21 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -113.88 4.39 15.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.03 138.22 50.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -42.57 72.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 pt-20 -58.25 -42.92 87.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 13.7 t80 -65.26 -37.91 88.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -73.19 -31.01 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -70.22 -25.83 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 63' ' ' GLU . 58.5 p -79.8 -35.48 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.0 mt -47.67 130.56 14.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -60.34 -169.81 0.49 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.34 160.39 20.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 48.98 41.15 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -75.89 126.02 30.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -76.62 132.57 39.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -124.79 162.1 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 16.0 ttm -129.56 133.71 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 ' CG2' ' A' ' 48' ' ' VAL . 3.9 tp -102.56 139.6 23.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 76' ' ' ILE . 36.8 mt -130.73 134.24 46.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -80.77 176.23 9.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -64.85 79.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.53 24.78 0.99 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -128.13 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -113.18 168.07 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 1.3 t90 -82.61 155.09 24.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.799 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.416 ' N ' ' CD2' ' A' ' 83' ' ' TRP . 31.2 mtp -140.94 144.69 36.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.473 0.654 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.492 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 53.6 Cg_endo -69.74 -164.78 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.458 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 83.0 p -67.35 105.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -68.03 156.41 52.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.758 2.305 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -73.96 163.71 27.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 t -60.92 125.87 25.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -96.71 135.83 38.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.91 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 4.7 t -53.23 154.27 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.813 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.82 -132.5 0.72 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.501 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 m -121.6 -73.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -111.71 176.78 4.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.89 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.1 -72.36 1.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 168.69 20.71 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.728 2.285 . . . . 0.0 112.294 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.73 149.57 14.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -120.3 142.84 34.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.539 0.685 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.2 Cg_endo -69.79 140.79 43.42 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 34.4 m-85 -147.74 145.57 28.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.68 127.69 55.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG11 HG23 ' A' ' 37' ' ' THR . 11.3 t -115.06 137.06 49.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 m -132.64 146.34 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 37.0 p30 -69.37 178.22 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -58.88 -39.23 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 38.6 t70 -82.89 14.45 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 17.4 mtp180 36.82 42.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -110.55 -25.31 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -96.7 155.67 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -138.12 114.99 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -133.28 121.18 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -100.45 127.46 9.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 36' ' ' LYS . 3.1 t -126.55 142.42 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.3 mtp -101.8 115.57 30.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . . . -138.51 138.33 37.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -79.99 -18.0 51.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -141.38 175.81 9.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 32.8 tp -70.96 -51.18 27.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -50.02 -55.69 13.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.44 -52.01 41.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -57.29 -70.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 33' ' ' LEU . 68.0 mt -33.51 -60.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 t -52.99 -42.45 65.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 25' ' ' VAL . 18.1 mtpp -63.65 -55.79 20.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.54 HG23 HG11 ' A' ' 14' ' ' VAL . 93.7 m -37.63 -48.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.139 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -48.09 -47.92 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -70.21 -34.48 72.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.77 -47.04 88.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.53 7.13 45.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.1 m 40.41 42.48 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.9 mt -54.37 137.21 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.45 -53.94 51.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -100.66 167.39 10.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.511 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -93.76 -49.03 2.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -45.77 96.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' GLY . 31.9 m -135.49 158.29 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.7 m -121.07 118.74 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD22 HG12 ' A' ' 34' ' ' ILE . 16.9 tp -90.47 130.31 36.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.912 HG12 ' HA ' ' A' ' 58' ' ' VAL . 24.0 m -140.63 176.05 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.56 136.26 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -79.03 10.95 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 17.8 pt-20 -102.09 -51.39 3.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 5.7 m-20 -126.52 -10.81 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.88 38.46 15.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.521 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.6 m -82.36 123.18 28.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.908 0.385 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.912 ' HA ' HG12 ' A' ' 51' ' ' VAL . 72.1 t -61.27 112.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 t -97.2 89.1 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -118.36 20.44 13.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.7 p -124.78 140.09 53.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -76.63 -39.63 51.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.639 ' O ' HG23 ' A' ' 67' ' ' THR . 6.3 pt-20 -57.77 -34.79 69.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -80.25 -30.85 38.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 1.3 t80 -73.69 -36.11 65.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -67.34 -15.65 63.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 63' ' ' GLU . 28.0 p -90.75 -30.72 16.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.82 130.19 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.33 -160.75 0.91 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.431 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.73 148.34 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.851 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 62.47 46.67 5.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.5 m -86.62 131.16 34.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -78.59 148.29 33.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -138.89 163.69 31.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.486 ' HB3' HG23 ' A' ' 51' ' ' VAL . 8.9 ttm -133.36 123.95 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 1.9 tp -99.0 125.48 52.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.1 mt -121.91 118.08 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.6 mp0 -70.96 173.29 7.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.77 82.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 132.45 36.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -145.54 158.72 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -132.84 162.95 30.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 5.5 t90 -79.13 143.66 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.407 ' CE ' ' HE3' ' A' ' 82' ' ' LYS . 21.8 mtp -131.25 143.33 48.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -177.1 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.8 t -90.74 124.29 34.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 165.51 -174.0 41.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 91.31 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.258 . . . . 0.0 112.401 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.0 p -89.98 177.23 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 79.0 p -96.19 149.34 21.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -82.77 -48.78 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -102.21 87.89 3.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.82 -143.91 7.76 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.54 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -106.58 105.02 14.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -87.15 -56.2 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.98 -179.28 26.87 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 145.56 57.86 Favored 'Trans proline' 0 C--O 1.231 0.127 0 C-N-CA 122.715 2.277 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.73 146.42 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 16.1 mmt180 -100.97 144.32 28.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.517 0.675 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 144.14 53.42 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 55.0 m-85 -147.0 150.92 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -102.13 145.36 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.551 HG11 HG23 ' A' ' 37' ' ' THR . 4.3 t -132.25 143.54 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -140.4 148.18 40.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 47.2 p30 -74.98 177.17 6.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -57.85 -40.25 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.1 t0 -81.21 14.03 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.469 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 16.4 mtp180 36.61 44.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 38.9 t -111.55 -35.65 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -88.35 145.19 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -129.6 114.07 15.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.693 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.52 121.08 22.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.832 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.693 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -95.57 116.19 5.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 t -117.53 144.27 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.333 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 15.5 ptm -117.03 130.26 56.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -145.99 157.14 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.1 t -82.85 -22.19 34.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.1 m -142.18 -178.85 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 9.4 tp -74.9 -57.16 4.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -47.53 -44.96 26.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 16.4 tt0 -58.92 -45.9 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.7 tp -60.91 -68.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . 46.0 mt -34.19 -61.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.3 p -49.93 -43.46 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' LEU . 19.9 mtpp -64.15 -52.39 59.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.551 HG23 HG11 ' A' ' 14' ' ' VAL . 13.5 m -41.36 -55.99 2.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 HD12 ' A' ' 43' ' ' ILE . 9.9 mt -50.31 -37.29 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.82 -53.23 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -55.55 -58.14 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -64.18 -13.22 47.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.5 t 54.27 45.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 HD23 ' A' ' 38' ' ' LEU . 98.2 mt -64.55 138.93 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.4 -57.97 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -98.03 157.46 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.447 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -87.59 -35.13 9.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -55.01 103.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' CG2' HD21 ' A' ' 38' ' ' LEU . 35.7 m -152.18 155.62 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.2 m -119.89 129.99 54.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 tp -91.35 144.11 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -150.94 174.12 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.703 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.4 mt -83.54 135.93 34.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 tp10 -82.92 17.69 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 9.7 pt-20 -120.0 -44.42 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 31.2 m-20 -124.31 -12.14 7.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 72.16 35.47 60.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.703 ' HB ' HD12 ' A' ' 52' ' ' LEU . 92.4 m -86.72 117.89 25.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.14 109.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.174 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.6 85.33 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -112.0 16.8 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.8 135.13 54.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 4.7 pt-20 -70.16 -43.49 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 9.3 pt-20 -53.8 -31.11 47.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.16 -31.32 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.4 t80 -76.49 -29.4 56.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -72.77 -8.64 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -98.76 -32.04 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 HD13 HG21 ' A' ' 72' ' ' THR . 62.9 mt -55.19 138.36 44.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.16 -156.65 9.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.456 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.05 162.76 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 51.44 51.4 16.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.518 HG21 HD13 ' A' ' 68' ' ' LEU . 24.2 m -86.99 126.58 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 53' ' ' GLU . 4.2 t-160 -77.99 134.89 37.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -131.02 164.85 24.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 20.5 ttm -137.29 130.92 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -100.03 128.27 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 mt -121.94 123.78 42.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.0 173.71 9.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -63.37 84.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.89 40.5 0.34 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -147.17 154.1 40.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -122.12 167.36 13.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.4 t90 -83.17 143.96 30.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 18.8 mtp -132.2 144.26 52.38 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -173.73 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.2 p -89.07 -6.79 56.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.44 169.8 25.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 87.45 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 90.1 p -76.62 127.89 33.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m 50.88 40.97 26.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.58 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 p -153.15 160.32 42.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.872 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -126.24 97.45 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.798 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.31 172.36 14.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -165.26 129.35 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.84 0.352 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 m -125.96 123.32 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.06 146.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.526 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.12 66.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.45 133.11 25.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -104.43 143.8 27.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.75 148.1 64.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 35.3 m-85 -146.77 147.89 31.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 25.7 mtm-85 -99.74 135.32 41.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.3 t -124.43 146.6 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -137.74 141.35 40.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 49.5 p30 -68.79 177.04 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.454 ' CG ' HE22 ' A' ' 81' ' ' GLN . 16.1 p80 -58.75 -43.33 90.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -74.23 3.99 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 38.5 mtp180 45.36 43.59 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -115.98 -23.19 8.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.4 m -97.77 153.77 18.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 mtm-85 -143.03 115.65 8.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.727 HH11 ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -128.92 134.05 48.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.99 110.01 3.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG11 ' HB3' ' A' ' 36' ' ' LYS . 16.1 t -115.57 144.39 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 26' ' ' MET . 9.9 ptm -114.66 129.84 56.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 32' ' ' GLU . . . -145.43 155.18 42.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.1 p -84.45 -31.67 24.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 m -131.15 -176.52 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 13.1 tp -73.83 -54.17 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -50.19 -44.84 53.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 15.8 tt0 -55.78 -51.42 67.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.6 tm? -56.89 -67.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' N ' HD13 ' A' ' 33' ' ' LEU . 59.5 mt -35.41 -59.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 p -53.11 -41.41 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.609 ' HB3' HG11 ' A' ' 25' ' ' VAL . 26.7 mttm -64.47 -56.81 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.422 ' CG2' HG11 ' A' ' 14' ' ' VAL . 29.7 m -37.95 -54.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 43' ' ' ILE . 9.7 mt -45.11 -49.39 11.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.29 -37.7 86.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.727 ' HB1' HH11 ' A' ' 23' ' ' ARG . . . -61.48 -58.7 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' VAL . 11.4 mt -80.36 8.91 6.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.5 m 35.87 39.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 38' ' ' LEU . 78.3 mt -48.07 147.09 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.53 -61.34 2.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -98.16 153.73 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -82.31 -37.98 13.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.554 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -55.71 99.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.82 173.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.3 m -135.67 120.92 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.37 128.73 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.9 m -139.27 169.46 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 98.5 mt -74.89 131.06 40.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -76.45 8.48 3.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.6 pt-20 -98.61 -53.3 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -124.64 -4.01 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.13 34.53 55.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.1 m -85.42 124.43 32.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 111.079 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 51' ' ' VAL . 70.2 t -60.71 119.58 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.7 t -100.13 90.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -116.09 17.61 15.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.89 131.12 56.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.19 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -66.4 -44.62 82.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -60.7 -30.82 70.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -80.61 -25.87 38.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -86.42 -26.24 24.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -78.3 -11.43 59.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.1 p -93.34 -12.28 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 72' ' ' THR . 49.2 mt -76.58 133.89 39.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.29 145.86 22.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.43 155.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 69.93 39.4 1.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 HG21 HD13 ' A' ' 68' ' ' LEU . 46.8 m -87.08 125.58 34.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.536 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 9.3 m80 -81.44 116.48 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -111.45 164.81 12.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 38.1 tpp -131.3 120.89 23.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 3.1 tp -99.01 126.19 52.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LYS . 58.4 mt -121.29 130.36 53.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' GLY . 23.6 mt-10 -82.84 175.59 9.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -61.29 78.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 133.5 40.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.454 HE22 ' CG ' ' A' ' 17' ' ' HIS . 13.5 mt-30 -150.78 145.59 25.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 77' ' ' LEU . 15.8 ptmt -119.17 162.27 18.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -71.8 149.01 45.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.4 mtp -141.26 143.59 31.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -178.65 2.42 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.728 2.286 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.9 p -66.29 102.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.825 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 78.89 151.05 5.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.44 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 174.4 9.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.688 2.259 . . . . 0.0 112.357 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' SER . 62.2 p -152.33 162.74 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.911 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' SER . 80.7 p -34.51 -44.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -159.74 147.81 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.8 m -133.1 98.57 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.86 145.72 19.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -54.04 124.73 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -113.79 -45.64 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.14 151.87 8.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 138.13 37.12 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.752 2.301 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.13 139.45 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.586 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 51.0 mtt85 -103.94 146.81 33.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.57 0.7 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 143.87 51.91 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.38 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 87.6 m-85 -153.12 146.92 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HE ' ' CE1' ' A' ' 73' ' ' HIS . 5.3 mtp85 -111.63 136.0 51.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.33 144.71 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -140.87 136.18 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.89 176.35 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 20.8 p80 -57.13 -29.01 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -73.37 -0.83 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 HH12 ' CA ' ' A' ' 86' ' ' SER . 61.7 mtm180 39.95 41.9 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -124.11 -27.88 3.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -91.13 152.42 20.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -140.15 114.79 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.692 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -120.91 121.21 37.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -88.43 121.05 5.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.531 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 21.3 t -127.06 144.52 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.4 mtp -111.92 106.19 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.69 131.16 49.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.4 p -67.25 -19.14 65.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.577 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 2.5 m -147.95 179.68 7.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 4.4 tp -69.53 -59.13 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -43.89 -45.43 7.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.08 -40.54 94.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LYS . 51.7 tp -62.81 -70.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.674 HG13 HD22 ' A' ' 50' ' ' LEU . 44.8 mt -34.07 -58.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -53.11 -42.59 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 30.9 mttm -64.81 -53.69 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 m -37.9 -57.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 43' ' ' ILE . 15.1 mt -41.7 -49.7 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -69.94 -34.2 73.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.692 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -62.5 -55.51 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -84.43 8.16 17.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.1 m 37.77 49.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HD12 HD23 ' A' ' 38' ' ' LEU . 77.2 mt -58.62 157.8 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 43' ' ' ILE . . . -73.41 -54.67 7.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -94.06 -179.91 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.47 -22.29 6.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -76.21 107.02 8.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.376 . . . . 0.0 110.955 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.2 m -139.39 171.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -133.7 124.18 26.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.674 HD22 HG13 ' A' ' 34' ' ' ILE . 12.5 tp -90.7 129.36 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' TRP . 4.2 m -141.52 157.11 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 57' ' ' THR . 65.1 mt -65.86 131.65 46.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 53' ' ' GLU . 11.1 tm-20 -80.15 13.93 2.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 11.7 pt-20 -116.89 -45.0 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 5.1 m-20 -124.99 7.91 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.527 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 58.39 15.57 24.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.52 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.846 ' HB ' HD12 ' A' ' 52' ' ' LEU . 89.3 m -68.06 127.23 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 111.069 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.22 131.99 29.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 t -117.74 99.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -126.19 20.56 7.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 p -123.45 151.16 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -84.19 -37.63 21.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 67' ' ' THR . 12.3 mt-10 -62.72 -32.21 73.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -80.44 -30.69 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -79.84 -26.06 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -79.0 -8.9 59.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 63' ' ' GLU . 60.9 p -94.95 -29.62 14.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -57.78 137.86 56.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' ASP . . . -78.76 142.82 26.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' GLY . 18.9 m-20 -37.6 154.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 62.57 53.85 2.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.1 m -96.39 132.71 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' CE1' ' HE ' ' A' ' 13' ' ' ARG . 7.6 m80 -87.58 123.43 32.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -118.27 162.48 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 ttm -127.62 130.31 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.7 tp -103.77 127.42 57.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.31 127.36 49.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 80' ' ' GLY . 1.8 mp0 -84.45 171.66 12.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -55.96 84.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 130.5 32.17 0.53 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.519 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.585 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 47.0 mt-30 -146.85 136.71 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.913 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -120.08 155.73 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.527 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 3.8 t90 -74.41 146.15 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 22.2 mtp -130.02 143.53 49.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.639 0.733 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -179.32 2.82 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.405 ' CA ' HH12 ' A' ' 19' ' ' ARG . 30.5 t -116.11 -30.25 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -82.45 164.71 43.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.587 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -28.51 25.06 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.3 t -173.68 135.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.3 m -105.09 156.24 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -118.62 108.06 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.897 0.38 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -116.51 102.8 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.54 97.3 2.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -111.24 146.38 37.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.878 0.37 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -143.65 167.31 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.24 156.3 31.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 153.68 68.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.381 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.24 139.49 38.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.044 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -107.26 148.13 36.52 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 53.9 Cg_endo -69.76 143.55 51.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 46.5 m-85 -147.76 147.0 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' NE2' ' A' ' 73' ' ' HIS . 92.7 mtt180 -109.22 134.62 51.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 9.8 t -121.26 148.43 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.8 m -144.76 144.81 31.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.6 p30 -65.66 174.46 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.463 ' CG ' HE22 ' A' ' 81' ' ' GLN . 33.0 p80 -55.65 -39.22 70.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -80.33 8.76 6.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 29.3 mtp180 42.62 48.86 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -114.59 -35.61 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 17.8 m -87.03 158.26 19.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 21' ' ' SER . 23.3 mtm180 -143.09 113.95 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.827 HH11 HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -129.69 125.79 36.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -97.05 125.04 8.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 HH11 ' A' ' 23' ' ' ARG . 11.7 t -122.96 142.57 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 mtp -113.85 105.17 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.51 162.19 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 p -92.97 -16.68 24.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -150.04 -175.52 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.874 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 34' ' ' ILE . 9.4 tp -72.78 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -43.73 -46.06 7.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -58.87 -50.64 73.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.4 tm? -55.66 -65.5 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD11 HD11 ' A' ' 30' ' ' LEU . 84.2 mt -37.2 -54.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -59.09 -36.72 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.5 mttm -68.24 -55.69 11.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 90.4 m -41.98 -39.74 1.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 HD12 ' A' ' 43' ' ' ILE . 7.9 mt -62.09 -49.07 77.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.45 -46.4 76.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.26 -55.34 36.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 37' ' ' THR . 11.4 mt -76.59 4.2 9.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 41' ' ' LEU . 34.7 m 35.97 44.08 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.45 HD12 HD23 ' A' ' 38' ' ' LEU . 89.3 mt -55.12 141.35 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.16 5.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -97.62 158.96 15.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.48 -35.11 8.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.42 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -59.27 97.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 m -144.37 159.55 15.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.3 m -124.44 125.59 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.59 133.5 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 58' ' ' VAL . 33.4 m -140.84 174.01 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.28 139.68 41.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -83.41 20.71 1.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 19.4 pt-20 -113.92 -50.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 13.3 t70 -124.57 -20.24 5.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.43 43.32 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.423 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.6 m -88.96 122.77 32.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.939 ' HA ' HG12 ' A' ' 51' ' ' VAL . 49.0 t -65.64 102.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.2 t -83.02 97.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -113.51 -0.05 14.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.6 p -109.2 148.25 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -84.04 -30.51 26.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.83 -39.45 94.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -76.49 -34.2 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -73.75 -25.53 60.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -75.34 -30.36 60.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 p -73.19 -32.93 65.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 76.5 mt -49.27 135.15 17.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.99 -161.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.17 146.72 23.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 62.27 40.08 11.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.3 m -73.92 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.083 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.425 ' NE2' ' HD2' ' A' ' 13' ' ' ARG . 13.2 m80 -75.42 142.35 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.73 164.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 8.6 ttm -130.6 127.64 39.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.2 tp -99.26 124.07 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.9 mt -112.27 133.58 54.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -75.1 175.74 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -63.94 89.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.33 23.85 5.0 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.463 HE22 ' CG ' ' A' ' 17' ' ' HIS . 7.5 mt-30 -118.99 147.79 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.893 0.378 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -109.67 170.18 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.463 ' CD1' ' SD ' ' A' ' 75' ' ' MET . 2.1 t90 -86.96 146.56 26.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.0 mtp -131.3 143.55 49.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.527 0.68 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -169.24 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.7 t -50.76 120.95 5.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.04 160.87 10.06 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 1.0 4.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.741 2.294 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.3 m -55.8 144.89 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.8 t -88.1 120.13 29.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m 56.34 41.95 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.834 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -137.34 117.02 13.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.42 88.72 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -126.57 158.68 35.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.942 0.401 . . . . 0.0 110.81 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -162.25 116.82 1.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.51 152.84 27.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 175.59 7.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.25 143.4 26.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -105.95 149.66 38.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.5 65.33 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -151.47 138.39 19.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -103.82 133.45 48.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.571 HG11 ' CG2' ' A' ' 37' ' ' THR . 11.6 t -120.27 134.49 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -125.97 141.18 52.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 16' ' ' ASN . 41.1 p30 -64.55 178.21 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 17' ' ' HIS . 7.7 p80 -58.04 -39.32 78.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' ARG . 13.0 t70 -81.62 15.58 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 48.2 mtp180 35.28 47.54 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 t -114.85 -35.57 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.7 m -87.46 155.21 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.794 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -139.36 114.23 9.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.504 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.46 124.01 41.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.35 110.57 3.96 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.724 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.6 t -117.93 144.97 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.2 mtp -111.14 122.69 48.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.61 144.78 32.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.9 p -71.94 -43.5 65.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.0 m -122.93 -175.06 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.6 tp -74.81 -62.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -40.11 -41.33 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.37 -45.89 78.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.0 tm? -59.64 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 33' ' ' LEU . 92.9 mt -35.05 -59.1 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.4 t -53.17 -44.41 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.724 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.0 mttp -61.26 -55.6 30.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.571 ' CG2' HG11 ' A' ' 14' ' ' VAL . 91.1 m -38.05 -52.81 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.886 HD23 HD12 ' A' ' 43' ' ' ILE . 8.0 mt -52.89 -58.72 5.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.02 -41.19 62.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -63.78 -52.52 59.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' VAL . 15.3 mt -77.45 8.14 4.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 42' ' ' VAL . 48.3 t 35.6 46.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.886 HD12 HD23 ' A' ' 38' ' ' LEU . 84.4 mt -62.82 142.96 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.37 -50.73 68.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.0 t -99.45 157.11 16.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.16 -36.45 8.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -58.05 113.64 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 0.0 110.938 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.572 ' N ' HD13 ' A' ' 47' ' ' LEU . 17.3 m -150.0 159.48 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.7 m -123.11 119.11 29.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -91.28 132.61 36.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.3 m -140.39 170.95 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 mt -78.41 134.18 37.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.9 mm-40 -81.34 15.12 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.4 pt-20 -116.57 -42.01 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -125.86 -11.65 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 78.04 16.96 79.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.4 m -69.79 129.56 39.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.653 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.0 t -63.64 117.96 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.205 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG12 HD13 ' A' ' 30' ' ' LEU . 65.7 t -104.35 85.37 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -121.77 37.0 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -140.21 152.59 46.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -82.45 -31.53 29.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -64.95 -39.8 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -79.25 -28.77 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 30' ' ' LEU . 3.1 t80 -75.91 -42.24 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -56.93 -29.0 62.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.4 p -77.37 -35.65 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.447 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 77.0 mt -46.61 139.77 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.7 -149.76 5.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 6.5 m-20 -97.72 159.51 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 9.6 p30 46.2 42.6 10.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.5 m -76.81 124.98 28.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -75.78 140.8 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.447 ' CZ ' HD13 ' A' ' 68' ' ' LEU . 37.1 m-85 -135.92 160.12 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.479 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 24.8 ttm -124.87 126.41 45.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.3 tp -98.96 122.96 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 82' ' ' LYS . 25.6 mt -118.65 114.95 23.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -65.52 175.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.42 89.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.54 36.07 0.76 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -141.14 148.86 40.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 21.1 pttp -124.49 164.13 20.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.487 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -85.04 144.22 28.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.1 mtp -130.66 143.72 50.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -177.7 2.01 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 t -90.21 125.37 35.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.55 157.9 25.46 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 164.92 32.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.728 2.285 . . . . 0.0 112.284 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.3 m -103.37 172.2 6.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.2 t -133.32 150.25 51.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t 50.71 42.36 27.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m -85.55 102.95 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 148.11 179.93 24.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 87.8 p 35.79 42.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.887 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -98.69 174.8 6.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.33 -157.99 8.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.26 30.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.753 2.302 . . . . 0.0 112.329 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.99 148.98 49.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.065 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 97.0 mtt180 -107.45 149.22 38.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 139.96 41.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 68.1 m-85 -150.43 145.43 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 24.2 mmt-85 -99.92 147.96 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG11 ' CG2' ' A' ' 37' ' ' THR . 6.4 t -138.45 124.86 25.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -121.88 162.29 21.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.495 ' O ' ' CE ' ' A' ' 75' ' ' MET . 45.0 p30 -84.69 177.02 8.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CE1' ' CG ' ' A' ' 18' ' ' ASP . 21.2 p80 -55.91 -39.27 71.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.483 ' CG ' ' CE1' ' A' ' 17' ' ' HIS . 30.5 m-20 -82.59 13.73 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 14.4 mtp180 36.62 43.57 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 t -111.87 -30.24 7.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 m -91.04 155.62 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mtt-85 -140.02 113.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -126.11 121.24 32.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.47 103.67 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG12 ' NZ ' ' A' ' 36' ' ' LYS . 22.0 t -105.83 149.25 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.6 mtp -124.3 125.32 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 36' ' ' LYS . . . -147.17 153.39 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.086 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.0 t -78.3 -38.38 42.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -124.84 -176.21 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 14.3 tp -74.27 -62.94 1.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -43.32 -41.78 4.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -63.95 -44.76 91.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.3 tp -56.71 -67.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 37' ' ' THR . 35.7 mt -41.63 -70.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . 32.5 t -34.41 -55.1 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 27' ' ' ALA . 7.6 mtmp? -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.477 ' CG2' HG11 ' A' ' 14' ' ' VAL . 86.5 m -49.01 -55.82 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 HD12 ' A' ' 43' ' ' ILE . 6.5 mt -40.92 -40.4 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.74 -54.7 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -50.69 -57.39 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.6 -9.32 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 40' ' ' ALA . 7.8 t 50.34 48.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD12 HD23 ' A' ' 38' ' ' LEU . 72.1 mt -68.5 142.18 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.32 44.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.058 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.8 t -98.19 159.06 15.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.188 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -92.9 -41.27 4.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 47' ' ' LEU . 1.3 tm? -52.46 96.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.5 m -140.37 -179.53 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.2 m -149.79 124.9 10.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tp -94.12 132.23 38.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 58' ' ' VAL . 14.7 m -137.74 176.71 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLY . 22.1 mt -85.42 121.92 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.448 ' CD ' ' HB2' ' A' ' 73' ' ' HIS . 3.8 pm0 -57.11 -19.49 19.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG2' ' CB ' ' A' ' 52' ' ' LEU . 6.6 pt-20 -58.12 -57.26 13.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -128.14 -25.2 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 110.64 22.86 6.17 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.53 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.487 ' HB ' HD12 ' A' ' 52' ' ' LEU . 21.5 m -72.75 123.83 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.886 ' HA ' HG12 ' A' ' 51' ' ' VAL . 7.7 p -72.46 128.32 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 81.3 t -105.81 96.43 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -112.77 28.36 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -132.72 150.16 52.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -82.73 -37.46 24.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' O ' HG23 ' A' ' 67' ' ' THR . 11.1 mt-10 -64.08 -34.15 77.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -79.63 -24.23 42.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -82.48 -34.27 28.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -71.65 -24.03 61.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 63' ' ' GLU . 76.4 p -76.95 -35.91 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.5 mt -45.8 148.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.98 -150.85 1.93 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -97.62 154.98 17.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.867 0.365 . . . . 0.0 110.825 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 1.8 p30 46.01 41.68 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.3 m -68.96 132.37 46.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 8.3 m80 -78.82 147.8 33.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -136.38 164.87 27.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 16' ' ' ASN . 32.5 tpp -132.63 125.91 31.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.1 tp -99.46 124.63 52.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 83' ' ' TRP . 51.1 mt -116.46 133.01 56.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 174.8 10.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.24 99.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 99.64 28.15 7.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.427 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.469 HE22 ' CG ' ' A' ' 17' ' ' HIS . 5.3 mt-30 -125.98 136.91 53.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -101.98 166.7 10.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.493 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 1.5 t90 -78.96 153.36 30.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.5 mtp -140.94 143.73 32.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.493 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.8 Cg_endo -69.77 -177.71 2.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -44.64 121.5 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.35 145.77 17.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 140.03 42.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m -123.93 165.49 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.6 p -145.22 133.07 21.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -54.66 172.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -113.2 146.75 38.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.38 160.15 2.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -149.31 171.43 16.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.893 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -148.03 148.85 31.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.88 146.11 7.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.75 18.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.18 142.64 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.1 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . 53.5 mtp180 -107.06 148.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 139.9 41.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.737 2.291 . . . . 0.0 112.281 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 10' ' ' ARG . 78.4 m-85 -153.9 137.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -99.62 139.17 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG11 ' CG2' ' A' ' 37' ' ' THR . 17.1 t -123.92 136.36 60.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 43.9 p30 -78.39 175.51 10.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.36 -42.98 67.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' ARG . 15.5 t0 -81.7 15.66 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.816 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 46.1 mtp180 35.28 48.42 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.3 m -115.35 -31.46 5.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 m -91.35 148.83 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -133.18 113.72 13.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.92 HH11 HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -125.87 122.72 36.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.47 101.72 2.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.92 HG22 HH11 ' A' ' 23' ' ' ARG . 39.6 t -98.14 146.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.6 mtp -115.88 101.06 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB1' ' HG2' ' A' ' 32' ' ' GLU . . . -125.82 158.39 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.8 t -91.7 -34.28 14.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.484 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 3.8 m -126.24 -175.48 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 9.8 tp -73.36 -62.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -45.29 -48.07 13.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 11.2 tt0 -51.94 -50.1 61.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ILE . 50.0 tp -57.34 -69.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -34.35 -62.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.1 p -48.84 -44.44 39.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.9 mttt -62.99 -56.17 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.427 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.3 m -37.79 -64.13 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD23 HD12 ' A' ' 43' ' ' ILE . 25.3 mt -38.61 -41.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.56 -52.77 10.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.37 -56.73 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.53 -17.21 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t 60.36 53.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.451 HD12 HD23 ' A' ' 38' ' ' LEU . 47.6 mt -77.8 130.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.57 -57.65 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -83.61 151.38 25.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.192 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.11 -32.35 7.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 97.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.805 ' CG2' HD11 ' A' ' 76' ' ' ILE . 31.5 m -137.55 163.96 29.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 94.6 m -126.25 127.39 45.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 tp -93.52 133.71 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 5.1 m -142.6 168.2 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.143 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 94.8 mt -73.53 134.48 43.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -80.75 12.77 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.8 pt-20 -103.88 -51.64 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.9 -11.68 6.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.68 55.15 3.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' HB ' HD12 ' A' ' 52' ' ' LEU . 91.2 m -101.87 125.21 48.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 99.2 t -64.96 113.71 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.6 t -99.0 96.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.25 -1.41 17.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -106.99 155.95 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 26.0 tt0 -89.02 -23.15 22.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 67' ' ' THR . 10.7 pt-20 -70.74 -39.89 73.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 22.3 t80 -75.59 -31.39 59.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -78.3 -32.27 49.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 34.1 mm-40 -70.18 -22.66 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 63' ' ' GLU . 68.1 p -81.12 -36.95 29.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.9 mt -47.55 128.16 12.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.68 -160.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.557 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -89.07 167.09 13.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.803 0.335 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 41.64 39.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.8 m -70.47 124.59 24.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -74.21 124.68 26.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -118.36 164.79 14.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 24.2 tpp -133.38 122.68 24.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.805 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.8 tp -99.02 135.42 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 82' ' ' LYS . 51.7 mt -127.98 132.99 49.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.51 175.81 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -62.89 82.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.945 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.26 41.49 0.25 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -148.22 159.26 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HA ' HD13 ' A' ' 77' ' ' LEU . 38.0 pttt -133.01 164.3 27.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -79.3 146.21 33.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 34.9 mtp -135.05 143.72 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.583 0.706 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -178.62 2.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.61 2.206 . . . . 0.0 112.401 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -82.33 124.37 29.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.03 -158.16 29.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 154.94 66.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.6 m -152.51 157.25 40.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -75.38 108.04 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.423 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -81.73 109.28 15.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -116.29 87.13 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.77 109.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.0 p -95.36 113.61 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.921 0.391 . . . . 0.0 110.835 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -117.7 80.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.35 162.35 12.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.63 145.42 57.89 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.734 2.289 . . . . 0.0 112.359 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.29 138.17 39.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.421 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 47.3 mtt85 -110.51 146.76 34.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.47 60.25 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.421 ' CE2' ' O ' ' A' ' 10' ' ' ARG . 82.9 m-85 -154.34 141.56 19.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NH2' ' NH1' ' A' ' 22' ' ' ARG . 10.7 mtp85 -105.61 124.52 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 37' ' ' THR . 14.2 t -113.11 135.33 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -124.28 155.1 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -84.07 176.54 8.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CD2' HE22 ' A' ' 81' ' ' GLN . 23.7 p80 -61.11 -18.76 59.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.29 -13.43 55.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 12.2 mtp180 59.37 31.82 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 p -122.68 -24.12 4.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.6 m -86.01 155.67 20.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' NH1' ' NH2' ' A' ' 13' ' ' ARG . 41.8 mtt-85 -140.1 119.42 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.718 ' NE ' ' HB1' ' A' ' 40' ' ' ALA . 10.2 tpp180 -126.59 121.31 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -100.09 112.92 4.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.412 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG22 ' HD2' ' A' ' 23' ' ' ARG . 4.1 t -118.92 144.27 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 mtp -108.39 103.34 12.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.79 156.79 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 t -94.07 -18.18 22.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.89 179.26 6.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.5 tp -75.19 -36.16 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -66.91 -53.19 34.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 13.1 tt0 -52.53 -37.45 57.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' ILE . 34.7 tp -64.13 -70.35 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' LEU . 40.3 mt -34.59 -63.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.7 t -46.24 -45.72 17.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 15.9 mtpp -63.42 -52.85 59.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 HG22 HD12 ' A' ' 41' ' ' LEU . 5.1 m -41.31 -58.24 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -39.07 -43.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -73.05 -52.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.718 ' HB1' ' NE ' ' A' ' 23' ' ' ARG . . . -50.22 -55.84 13.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 HG22 ' A' ' 37' ' ' THR . 6.1 mt -80.43 1.59 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' LEU . 22.2 m 36.87 44.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.5 mt -50.49 146.46 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.05 -65.12 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -107.3 172.1 7.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.6 -39.48 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -52.61 95.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.3 m -143.46 175.1 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.3 m -138.52 138.99 38.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.7 tp -104.53 128.07 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.949 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 58' ' ' VAL . 8.3 m -138.66 170.31 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 54' ' ' GLU . 87.6 mt -78.83 135.61 37.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -79.44 11.81 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 1.1 pt-20 -103.41 -53.53 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.81 7.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.533 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 61.14 41.44 99.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.444 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -88.67 126.0 35.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.199 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.586 ' HA ' HG12 ' A' ' 51' ' ' VAL . 86.5 t -62.34 107.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.23 90.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -118.14 24.55 10.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 p -129.89 131.0 45.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -66.95 -37.17 83.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 67' ' ' THR . 14.8 pt-20 -59.08 -33.05 70.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -84.31 -29.71 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -79.7 -27.91 40.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.25 -21.19 60.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 63' ' ' GLU . 55.6 p -83.43 -34.87 25.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 72' ' ' THR . 92.6 mt -50.94 137.17 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.08 -172.12 4.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.566 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -81.2 147.81 29.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 60.6 46.55 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 68' ' ' LEU . 28.1 m -78.48 142.49 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -84.95 148.2 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -145.09 164.42 31.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.448 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 31.2 ttm -133.47 124.09 26.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' ILE . 1.7 tp -100.41 124.6 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 82' ' ' LYS . 45.5 mt -115.48 139.28 50.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -90.26 174.67 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -61.78 86.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.05 37.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.536 HE22 ' CD2' ' A' ' 17' ' ' HIS . 11.7 mt-30 -147.47 153.81 40.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' HA ' HD13 ' A' ' 77' ' ' LEU . 1.5 pptp? -125.01 167.65 14.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.4 t90 -82.7 149.62 27.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.0 mtp -137.37 144.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.1 p -74.52 105.13 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.58 162.57 24.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.279 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -63.55 110.43 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 t -95.31 154.23 17.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -106.54 99.73 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -126.21 89.06 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 -139.75 11.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -106.36 168.12 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -113.85 166.63 11.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.29 -158.01 10.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 127.39 14.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.49 145.01 41.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 17.4 mmt180 -112.77 144.13 30.39 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.557 0.694 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 142.32 47.7 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.415 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 43.4 m-85 -144.96 140.34 28.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -98.55 130.73 45.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 37' ' ' THR . 18.2 t -117.71 150.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 m -142.01 140.33 32.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.51 ' O ' ' HE1' ' A' ' 75' ' ' MET . 42.6 p30 -65.97 176.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -55.84 -42.06 75.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 19' ' ' ARG . 26.5 t0 -80.12 12.95 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 50.9 mtp180 36.74 49.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -114.45 -35.43 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.3 m -90.01 147.94 23.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -134.29 113.69 12.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 135.97 50.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.58 114.45 4.69 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 36' ' ' LYS . 92.0 t -111.04 150.55 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 111.178 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.9 mtp -113.36 126.73 55.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.7 140.97 21.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.7 p -71.55 -39.25 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.5 m -124.98 -175.16 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 5.8 tp -74.94 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -44.16 -46.14 8.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.96 -41.37 91.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.8 tm? -62.41 -67.33 0.43 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 33' ' ' LEU . 82.5 mt -38.01 -51.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.5 t -59.06 -35.64 73.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.6 mttm -70.66 -57.96 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.441 ' CG2' HG11 ' A' ' 14' ' ' VAL . 22.2 m -39.22 -46.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD23 HD12 ' A' ' 43' ' ' ILE . 9.1 mt -55.79 -45.64 78.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.81 -47.1 61.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -58.35 -62.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD12 HG22 ' A' ' 37' ' ' THR . 12.4 mt -64.16 -20.94 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 40' ' ' ALA . 14.6 t 61.61 47.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 HD12 HD23 ' A' ' 38' ' ' LEU . 82.4 mt -61.2 148.74 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.14 -63.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.086 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.1 t -99.68 166.68 11.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -90.51 -42.78 5.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD12 ' HB2' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -47.83 97.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 76' ' ' ILE . 35.9 m -144.2 167.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 84.4 m -132.51 126.59 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.52 130.14 36.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 58' ' ' VAL . 3.5 m -144.27 159.42 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 56' ' ' GLY . 26.4 mt -66.67 129.25 39.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -77.27 10.3 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -109.78 -42.58 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.61 -7.61 6.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . . . 74.31 25.19 71.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.9 m -80.14 121.87 26.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 111.197 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.434 ' HA ' HG12 ' A' ' 51' ' ' VAL . 8.1 p -71.49 126.48 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.3 t -101.11 105.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -117.86 22.95 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.3 p -134.99 154.92 51.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.41 -37.18 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 67' ' ' THR . 11.3 mt-10 -60.57 -36.14 77.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -77.19 -30.84 54.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -79.18 -29.59 43.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -78.26 -10.06 59.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 63' ' ' GLU . 47.7 p -91.03 -35.15 14.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.823 HD13 HG21 ' A' ' 72' ' ' THR . 42.1 mt -52.24 136.23 30.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 150.38 35.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -39.4 153.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.13 47.55 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.823 HG21 HD13 ' A' ' 68' ' ' LEU . 23.4 m -81.91 133.47 35.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -89.12 120.65 30.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -116.42 164.81 14.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.51 ' HE1' ' O ' ' A' ' 16' ' ' ASN . 23.6 tpp -135.24 126.39 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.3 tp -98.91 122.48 50.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 83' ' ' TRP . 28.5 mt -121.64 135.71 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -79.43 167.96 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.953 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.659 ' HB2' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.03 -23.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -122.03 51.64 0.78 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -156.13 147.48 22.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.438 ' HA ' HD13 ' A' ' 77' ' ' LEU . 34.4 pttt -122.79 170.31 10.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ3' ' HD3' ' A' ' 85' ' ' PRO . 6.5 t90 -86.11 154.24 21.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 24.3 mtp -145.09 143.79 21.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.1 Cg_endo -69.82 -177.08 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -96.04 -45.17 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.98 -173.51 15.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 119.97 6.84 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.3 p -147.86 164.31 34.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.5 p -125.53 128.88 48.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -118.17 159.9 22.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -152.78 130.7 11.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 -109.71 1.62 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -145.52 141.2 28.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -117.43 94.24 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.56 174.18 34.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 130.35 19.28 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.718 2.279 . . . . 0.0 112.301 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.69 153.13 30.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -111.04 144.03 29.54 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.571 0.7 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 136.97 34.46 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.752 2.302 . . . . 0.0 112.383 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' VAL . 41.9 m-85 -135.64 162.78 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 12.2 mmt180 -117.15 150.21 39.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG11 HG23 ' A' ' 37' ' ' THR . 5.2 t -141.01 144.85 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.7 m -142.19 143.2 32.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 p30 -65.15 178.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.56 ' CD2' ' OE1' ' A' ' 81' ' ' GLN . 25.0 p80 -65.46 -23.89 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -89.28 8.82 28.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' NH1' ' N ' ' A' ' 86' ' ' SER . 28.8 mtp180 41.09 36.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.7 t -113.59 -21.47 10.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -98.16 149.5 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -135.25 114.06 11.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.678 ' HD2' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -129.34 121.2 26.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.643 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -92.25 126.81 8.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' PHE . 11.7 t -134.89 148.88 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 111.095 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.8 ptm -125.88 145.49 50.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -162.73 138.91 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.07 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.5 t -67.45 -18.97 65.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -142.78 179.71 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 7.2 tp -76.82 -59.53 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -41.86 -41.58 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -64.75 -42.54 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 34' ' ' ILE . 2.3 tm? -62.95 -66.54 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 ' N ' HD13 ' A' ' 33' ' ' LEU . 65.5 mt -35.74 -53.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.7 t -58.34 -38.6 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.5 mttt -66.22 -56.17 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.451 HG23 HG11 ' A' ' 14' ' ' VAL . 62.3 m -42.41 -51.59 4.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -50.03 -39.79 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -76.25 -39.76 53.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -60.89 -46.85 89.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 ' C ' HG22 ' A' ' 42' ' ' VAL . 12.7 mt -90.32 2.61 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 41' ' ' LEU . 27.1 m 41.34 43.22 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.102 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD12 HD23 ' A' ' 38' ' ' LEU . 56.2 mt -53.37 140.73 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.57 -62.93 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.01 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.2 t -98.71 175.88 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.29 -20.08 16.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 101.04 1.16 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.353 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG21 HD11 ' A' ' 76' ' ' ILE . 22.3 m -146.08 167.26 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -128.25 121.6 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -92.64 127.54 38.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.828 HG12 ' HA ' ' A' ' 58' ' ' VAL . 17.1 m -138.62 174.26 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 57' ' ' THR . 76.8 mt -80.98 135.1 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.8 mm-40 -77.3 8.59 3.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 52' ' ' LEU . 2.2 pt-20 -101.77 -54.79 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -124.54 13.86 8.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 58.45 25.29 57.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 52' ' ' LEU . 94.7 m -70.71 129.62 39.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.843 0.354 . . . . 0.0 111.131 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.828 ' HA ' HG12 ' A' ' 51' ' ' VAL . 87.6 t -66.9 121.81 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG13 ' HD2' ' A' ' 64' ' ' PHE . 19.6 t -113.02 88.82 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -123.74 28.52 6.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -132.56 143.19 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -72.96 -38.51 66.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 67' ' ' THR . 19.6 pt-20 -57.23 -32.32 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' HD2' HG13 ' A' ' 59' ' ' VAL . 12.6 t80 -86.25 -39.5 16.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -68.25 -21.0 64.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -82.42 -20.45 37.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.0 p -87.42 -18.67 29.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.17 145.11 56.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.44 -144.26 5.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 4.1 m-20 -102.04 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.715 0.293 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER 47.25 43.91 15.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.7 m -83.2 117.07 22.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 36.3 m80 -73.36 142.11 47.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.428 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 28.6 m-85 -132.16 164.26 26.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.5 tpp -128.88 125.17 37.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 48' ' ' VAL . 3.1 tp -102.62 129.53 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -127.77 128.16 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.0 mt-10 -82.96 175.9 9.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 77.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.65 35.04 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' CD2' ' A' ' 17' ' ' HIS . 11.1 mt-30 -145.0 145.88 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 165.7 14.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.428 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 6.9 t90 -81.76 146.47 29.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mtp -138.64 143.94 40.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' C ' ' NH1' ' A' ' 19' ' ' ARG . 54.4 Cg_endo -69.79 -177.99 2.14 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.459 ' N ' ' NH1' ' A' ' 19' ' ' ARG . 53.5 p -47.19 117.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 147.07 151.15 5.35 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.419 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 135.91 31.69 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.7 m -87.97 -58.97 2.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.0 t -92.57 80.04 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.446 -179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' SER . 88.9 p -129.17 133.77 47.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' SER . 82.8 p 37.29 41.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.9 -155.97 16.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -85.02 98.11 10.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.793 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -41.58 99.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.915 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.17 173.43 35.4 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.41 68.24 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.357 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -57.43 148.43 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.04 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' ' CD2' ' A' ' 12' ' ' PHE . 11.2 mmp_? -101.6 145.62 30.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.72 23.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.596 2.198 . . . . 0.0 112.383 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.447 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 74.4 m-85 -144.74 137.94 26.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.56 135.08 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.2 t -119.08 144.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.0 m -135.2 151.66 50.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 45.1 p30 -77.52 177.82 7.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -56.11 -41.28 75.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.5 t70 -82.58 15.39 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 80.6 mtm180 36.34 45.46 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 t -112.42 -29.17 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.3 m -92.87 148.18 22.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -134.17 114.42 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.641 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -130.86 121.04 24.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.641 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -94.85 114.37 4.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.534 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' HD3' ' A' ' 36' ' ' LYS . 20.3 t -113.44 144.46 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.404 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 36.7 mtp -111.57 110.22 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.22 153.26 49.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -82.95 -35.46 25.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 1.4 m -128.26 -175.0 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 14.4 tp -74.27 -57.82 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.983 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.26 -45.22 94.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 34' ' ' ILE . 31.9 tp -60.84 -67.81 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.653 ' CG1' HD22 ' A' ' 50' ' ' LEU . 82.9 mt -34.65 -61.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.6 p -51.08 -46.77 61.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' HD3' ' CG1' ' A' ' 25' ' ' VAL . 29.5 mttm -57.58 -53.77 54.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LEU . 35.4 m -42.75 -67.68 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.764 HD23 HD12 ' A' ' 43' ' ' ILE . 14.0 mt -37.41 -39.06 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -74.24 -52.92 10.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.27 -58.71 6.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -69.96 -8.44 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.1 t 48.91 51.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.764 HD12 HD23 ' A' ' 38' ' ' LEU . 78.5 mt -63.95 138.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.16 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.4 t -95.05 166.79 11.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.69 -43.41 4.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' A' ' 79' ' ' LYS . 1.1 tm? -48.15 111.3 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' N ' HD13 ' A' ' 47' ' ' LEU . 30.0 m -153.66 170.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.1 m -134.94 124.61 25.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.1 tp -92.83 128.42 38.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 58' ' ' VAL . 16.8 m -137.66 170.25 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.52 142.2 35.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HG2' ' C ' ' A' ' 74' ' ' PHE . 5.4 mm-40 -83.36 21.16 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 55' ' ' ASP . 9.2 pt-20 -114.1 -49.27 2.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 13.3 t0 -128.06 -8.3 5.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.537 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 77.45 32.8 45.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -78.68 128.19 33.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.601 ' HA ' HG12 ' A' ' 51' ' ' VAL . 90.8 t -68.53 112.51 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.5 t -92.0 92.92 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -112.82 20.84 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 p -131.3 144.88 51.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.183 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -78.73 -30.99 46.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 67' ' ' THR . 9.7 pt-20 -64.94 -36.79 85.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -75.58 -28.11 58.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -81.68 -32.27 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -67.78 -17.1 64.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 63' ' ' GLU . 73.8 p -89.6 -30.93 17.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.62 134.06 50.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.21 -170.25 22.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.41 157.84 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 m120 59.45 36.38 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.3 m -79.15 125.07 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.16 132.88 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' HG2' ' A' ' 53' ' ' GLU . 68.8 m-85 -126.68 164.1 22.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 27.6 ttm -130.17 128.08 41.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -103.27 122.65 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 82' ' ' LYS . 40.3 mt -113.08 129.87 56.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.15 174.05 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.585 ' HB2' HD12 ' A' ' 47' ' ' LEU . 14.1 tmtt? -63.46 93.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.02 30.34 1.63 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -137.09 156.09 48.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -130.13 165.21 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.89 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.537 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 2.2 t90 -85.16 148.71 25.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 33.2 mtp -132.02 145.72 58.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 83' ' ' TRP . 54.2 Cg_endo -69.71 -179.28 2.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.408 ' CA ' HH12 ' A' ' 19' ' ' ARG . 9.1 t -115.64 25.79 10.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 144.2 175.57 17.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.9 -26.01 27.35 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -57.19 142.75 41.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.9 m 51.14 41.04 27.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m 64.07 41.55 6.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.794 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -95.13 158.8 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.786 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -119.13 3.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -151.46 160.89 43.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.67 -42.16 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.34 -157.92 7.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.526 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -177.3 1.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.719 2.279 . . . . 0.0 112.369 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . -161.09 164.21 30.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -107.26 142.7 25.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.4 Cg_endo -69.69 145.74 58.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.716 2.278 . . . . 0.0 112.398 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD1' ' O ' ' A' ' 11' ' ' PRO . 43.0 m-85 -153.57 151.89 30.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 1.3 mpt_? -110.8 143.57 41.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.4 t -127.56 140.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -137.32 135.8 37.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 31.7 p30 -64.88 171.37 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.435 ' HB3' ' NE2' ' A' ' 81' ' ' GLN . 18.2 p80 -54.18 -39.91 67.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.3 t70 -80.53 11.63 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.806 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 37.7 mtp180 35.71 46.14 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.99 -32.51 6.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -91.34 161.12 15.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.6 mtt-85 -141.94 114.12 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.625 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.71 121.15 26.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.625 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -98.21 99.8 2.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.555 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 36' ' ' LYS . 18.0 t -102.38 145.27 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.111 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 12.2 ptm -115.35 136.92 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.568 ' CA ' ' HB1' ' A' ' 9' ' ' ALA . . . -156.62 147.67 22.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.126 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -76.45 -33.18 58.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.533 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -128.93 -179.37 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 7.1 tp -74.87 -60.88 2.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -42.84 -38.24 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.53 -45.41 83.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 34' ' ' ILE . 1.9 tm? -60.89 -63.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 33' ' ' LEU . 93.8 mt -37.92 -56.1 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -57.86 -38.2 75.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HG11 ' A' ' 25' ' ' VAL . 27.3 mttt -65.41 -55.31 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.443 ' CG2' HD12 ' A' ' 41' ' ' LEU . 87.7 m -43.91 -53.58 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 HD12 ' A' ' 43' ' ' ILE . 7.1 mt -48.53 -42.49 33.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.83 -47.97 60.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -59.88 -62.42 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD12 ' CG2' ' A' ' 37' ' ' THR . 18.5 mt -63.99 -7.9 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.699 ' O ' HG12 ' A' ' 42' ' ' VAL . 57.3 t 46.32 49.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.445 HD12 HD23 ' A' ' 38' ' ' LEU . 65.7 mt -65.32 145.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.39 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -97.7 171.31 8.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.47 -38.33 4.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.438 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 100.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -144.92 167.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 89.7 m -131.83 123.14 26.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 33' ' ' LEU . 12.8 tp -94.57 128.1 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 58' ' ' VAL . 23.2 m -139.92 169.21 16.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.1 mt -72.77 132.62 43.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.22 11.13 2.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -113.31 -44.36 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -119.34 -8.71 10.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 83' ' ' TRP . . . 72.74 19.1 79.13 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.6 m -77.11 129.06 35.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.903 ' HA ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -74.23 128.67 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 t -101.67 104.84 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -115.67 0.14 13.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.06 138.6 49.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.71 -37.06 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.769 ' O ' HG23 ' A' ' 67' ' ' THR . 9.6 pt-20 -58.85 -36.94 75.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 19.5 t80 -75.97 -38.08 57.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -72.18 -25.36 61.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.967 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -79.92 -19.35 48.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 63' ' ' GLU . 49.6 p -89.15 -12.44 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.24 126.97 31.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.0 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -54.15 -170.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.66 149.74 24.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 63.55 36.82 10.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.0 m -75.13 127.05 32.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 20.9 m80 -76.51 143.33 40.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -131.22 164.7 24.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 28.1 tpp -131.11 122.89 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.491 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.5 tp -99.04 124.21 52.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 82' ' ' LYS . 50.3 mt -122.46 125.52 45.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.933 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 80' ' ' GLY . 10.9 mt-10 -82.72 175.46 10.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -59.91 77.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . 135.32 39.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 17' ' ' HIS . 13.9 mt-30 -148.26 155.91 41.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -128.58 165.41 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.495 ' CD1' ' HA2' ' A' ' 56' ' ' GLY . 4.7 t90 -85.92 145.61 27.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.1 mtp -131.49 143.7 50.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.697 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -177.59 1.96 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.287 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -99.13 129.1 45.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.24 166.99 29.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.422 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -11.12 30.21 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.4 t -79.77 51.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.7 p -139.53 171.69 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -113.38 159.86 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -73.64 154.81 39.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.82 94.35 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 p -132.63 43.93 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -145.03 114.55 7.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.37 145.21 5.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 136.65 33.68 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' ' C ' ' A' ' 26' ' ' MET . . . -100.89 137.5 39.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -96.36 143.99 27.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.806 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.67 35.88 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.305 . . . . 0.0 112.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -149.76 138.27 20.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' NE2' ' A' ' 73' ' ' HIS . 18.7 mtp180 -99.38 125.09 45.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG11 ' CG2' ' A' ' 37' ' ' THR . 10.3 t -108.34 148.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -137.73 140.3 40.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.59 178.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.519 ' CD2' HE22 ' A' ' 81' ' ' GLN . 17.6 p80 -62.0 -46.66 88.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -89.54 13.59 13.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 50.62 48.29 22.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.5 m -106.06 -26.65 11.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -112.16 148.9 33.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -128.21 113.64 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CZ ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -131.22 121.06 24.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' CZ ' ' A' ' 23' ' ' ARG . . . -102.51 106.51 2.95 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.8 149.28 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.462 ' C ' ' HB1' ' A' ' 9' ' ' ALA . 12.6 mtp -115.35 103.49 10.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.42 156.98 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.7 t -87.15 -34.06 19.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.95 -176.32 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 61' ' ' THR . 28.6 tp -74.31 -56.82 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -49.73 -56.24 10.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 36' ' ' LYS . 10.4 tt0 -45.45 -43.86 11.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' ILE . 65.7 tp -61.71 -70.64 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG1' HD22 ' A' ' 50' ' ' LEU . 68.8 mt -35.07 -60.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -48.46 -43.92 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 32' ' ' GLU . 16.5 mtpp -65.92 -54.96 19.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.547 ' CG2' HG11 ' A' ' 14' ' ' VAL . 10.8 m -39.61 -47.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 43' ' ' ILE . 10.0 mt -52.73 -55.45 22.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -50.03 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.46 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.05 -6.57 34.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' HG12 ' A' ' 42' ' ' VAL . 23.2 t 49.17 54.54 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.731 HD12 HD23 ' A' ' 38' ' ' LEU . 44.3 mt -65.59 143.57 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -58.95 6.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.084 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 t -95.09 -179.84 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.3 -28.82 5.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.08 100.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' A' ' 78' ' ' GLU . 27.3 m -140.28 156.79 24.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.4 m -118.53 132.94 56.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.47 HD22 ' CG1' ' A' ' 34' ' ' ILE . 12.4 tp -100.77 130.92 46.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.875 HG12 ' HA ' ' A' ' 58' ' ' VAL . 19.7 m -139.45 176.75 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.697 HD12 ' HB ' ' A' ' 57' ' ' THR . 33.8 mt -87.02 143.09 27.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.5 21.92 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.52 -52.07 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.42 4.08 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.815 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.31 49.97 53.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.546 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.697 ' HB ' HD12 ' A' ' 52' ' ' LEU . 40.1 m -93.04 103.87 16.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.875 ' HA ' HG12 ' A' ' 51' ' ' VAL . 76.5 t -42.01 115.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 57' ' ' THR . 21.5 t -107.31 93.58 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 30' ' ' LEU . 5.2 t70 -122.5 27.41 7.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.636 ' O ' HD22 ' A' ' 30' ' ' LEU . 15.8 p -133.34 156.88 46.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 3.4 mt-10 -85.46 -26.54 26.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 67' ' ' THR . 7.0 pt-20 -72.09 -31.27 65.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -87.76 -26.11 23.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -88.13 -37.21 16.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 38.1 mm-40 -69.98 -19.81 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 63' ' ' GLU . 19.1 p -80.29 -34.67 36.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.8 mt -48.38 169.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.952 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -102.95 -149.86 21.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.01 144.97 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m120 66.58 39.75 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 m -83.12 121.82 27.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.405 ' NE2' ' HD3' ' A' ' 13' ' ' ARG . 8.2 m80 -72.52 155.52 39.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -143.66 164.82 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.523 ' HB3' HG23 ' A' ' 51' ' ' VAL . 24.5 tpp -131.25 128.54 40.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.9 tp -102.27 131.21 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -128.23 117.43 21.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' HA ' HG12 ' A' ' 48' ' ' VAL . 13.7 mt-10 -69.49 175.19 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -61.64 93.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.57 38.82 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.447 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.519 HE22 ' CD2' ' A' ' 17' ' ' HIS . 20.7 mt-30 -145.19 154.87 42.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -125.91 167.87 14.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.435 ' CG ' ' N ' ' A' ' 84' ' ' MET . 6.3 t90 -83.15 157.04 22.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.435 ' N ' ' CG ' ' A' ' 83' ' ' TRP . 31.0 mtp -142.71 143.71 27.05 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.6 p -105.81 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 123.84 -178.29 16.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.98 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.264 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.1 m -132.24 87.68 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 91' ' ' GLY . 79.5 p -54.78 165.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -41.82 160.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.795 0.331 . . . . 0.0 110.927 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -112.43 -44.39 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.0 103.41 1.87 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.565 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -101.45 95.72 6.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.939 0.4 . . . . 0.0 110.85 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -48.51 -58.73 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 165.99 20.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 160.49 49.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.694 2.263 . . . . 0.0 112.376 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.22 151.46 19.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -113.58 145.96 34.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 134.97 29.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -147.48 141.33 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 10.6 mmt-85 -98.73 148.15 24.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG11 HG23 ' A' ' 37' ' ' THR . 24.3 t -132.73 137.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -131.38 144.17 51.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.496 ' OD1' ' N ' ' A' ' 19' ' ' ARG . 40.5 p30 -72.15 178.93 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -54.31 -46.73 72.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' ARG . 6.4 t70 -83.07 19.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 65.8 mtm180 34.04 47.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -110.12 -34.97 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -89.92 145.91 24.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.6 mtp85 -129.18 114.17 15.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.614 ' HE ' ' N ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -132.1 122.39 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.802 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.614 ' N ' ' HE ' ' A' ' 23' ' ' ARG . . . -101.09 103.61 2.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.8 t -98.48 144.67 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.4 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.1 mtp -111.01 107.01 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -129.86 146.54 51.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -74.21 -42.48 59.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.536 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 3.2 m -120.27 -175.07 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' HB2' ' CG ' ' A' ' 65' ' ' PHE . 4.1 tp -75.79 -61.24 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -42.77 -45.11 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -60.68 -43.93 97.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' ILE . 41.1 tp -59.64 -68.95 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CG1' HD22 ' A' ' 50' ' ' LEU . 69.1 mt -34.03 -68.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.8 t -41.75 -50.9 4.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.805 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -58.03 -55.23 37.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.629 HG23 HG11 ' A' ' 14' ' ' VAL . 29.0 m -38.37 -46.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 HD12 ' A' ' 43' ' ' ILE . 8.4 mt -58.95 -49.95 75.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -62.52 -49.18 76.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' A' ' 23' ' ' ARG . . . -58.12 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.35 -10.38 59.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 42' ' ' VAL . 34.2 t 51.7 43.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.726 HD12 HD23 ' A' ' 38' ' ' LEU . 70.6 mt -63.86 134.74 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.79 -63.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -92.01 155.1 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -85.12 -35.47 12.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -57.8 110.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' N ' HD13 ' A' ' 47' ' ' LEU . 28.9 m -151.55 161.74 3.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -125.34 127.02 45.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 34' ' ' ILE . 8.2 tp -90.86 136.28 33.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 m -144.82 164.96 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.226 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HB ' ' A' ' 57' ' ' THR . 50.0 mt -70.59 136.33 49.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -84.03 19.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 7.1 pt-20 -120.63 -42.06 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 56.3 m-20 -125.55 -13.43 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 83' ' ' TRP . . . 78.84 28.49 54.5 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.526 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.61 ' HB ' HD12 ' A' ' 52' ' ' LEU . 63.1 m -85.5 117.28 24.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -59.67 122.2 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' CD2' ' A' ' 64' ' ' PHE . 87.4 t -103.43 97.18 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -119.58 37.46 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -142.22 143.52 32.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.97 -29.19 58.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.665 ' O ' HG23 ' A' ' 67' ' ' THR . 10.5 pt-20 -66.24 -37.88 86.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' HG22 ' A' ' 59' ' ' VAL . 10.5 t80 -77.82 -35.0 51.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.536 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 5.6 t80 -72.5 -40.47 66.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -62.28 -25.08 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 63' ' ' GLU . 59.8 p -81.47 -25.66 35.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 HG21 ' A' ' 72' ' ' THR . 59.7 mt -60.49 132.86 55.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.14 -162.2 15.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.539 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 151.93 22.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.27 41.73 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.551 HG21 HD13 ' A' ' 68' ' ' LEU . 63.1 m -87.56 117.07 26.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.523 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 10.9 m80 -73.15 150.22 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.02 164.8 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 32.2 tpp -132.68 124.84 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' ILE . 2.4 tp -99.01 124.82 52.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.088 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 82' ' ' LYS . 21.0 mt -120.84 140.86 51.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -81.7 170.9 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -48.44 -33.6 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.55 54.17 0.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -153.04 158.46 42.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 77' ' ' LEU . 49.4 pttt -135.49 173.03 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.517 ' CD2' ' HA3' ' A' ' 56' ' ' GLY . 4.2 t90 -93.57 151.65 19.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 29.3 mtp -136.3 143.98 45.87 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.527 0.68 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -179.77 3.15 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -106.7 175.76 5.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 150.62 5.67 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.94 5.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -162.77 108.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -65.4 170.54 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 29.5 p -48.47 -47.57 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.893 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.3 p 37.78 42.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.851 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.04 138.05 8.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -45.45 142.14 2.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -90.48 -46.98 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.816 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.49 172.84 17.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.16 49.92 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' HB3' ' HE2' ' A' ' 26' ' ' MET . . . -97.97 158.22 15.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 70.9 mtt-85 -117.0 149.47 44.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.708 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 54.0 Cg_endo -69.75 148.51 65.33 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.365 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 64.9 m-85 -157.3 146.11 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 7.7 mmm-85 -98.56 155.34 17.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 37' ' ' THR . 21.6 t -143.27 144.55 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.2 m -145.17 150.44 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -77.8 178.69 7.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -53.59 -37.61 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' ARG . 16.0 t70 -78.06 9.73 3.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HG3' ' CE ' ' A' ' 75' ' ' MET . 15.6 mtp180 34.16 44.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -113.19 -37.53 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.9 m -84.19 146.55 27.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.8 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -130.6 113.77 14.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.511 ' CD ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -123.8 122.94 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' HD3' ' A' ' 23' ' ' ARG . . . -91.88 107.7 3.53 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.97 144.6 23.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.13 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.451 ' HE2' ' HB3' ' A' ' 9' ' ' ALA . 9.5 ptm -122.74 140.65 52.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -159.08 148.81 18.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 p -73.8 -26.92 60.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 4.7 m -133.3 -175.16 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 HD21 ' O ' ' A' ' 59' ' ' VAL . 22.7 tp -80.55 -57.65 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -43.98 -47.55 8.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -56.29 -54.85 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 34' ' ' ILE . 27.4 tp -49.38 -68.23 0.19 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG1' HD22 ' A' ' 50' ' ' LEU . 46.8 mt -33.75 -68.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.9 t -43.3 -47.09 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.788 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -60.98 -51.89 67.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.509 HG23 HG11 ' A' ' 14' ' ' VAL . 21.6 m -38.0 -55.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 43' ' ' ILE . 7.8 mt -44.83 -56.82 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -55.01 -44.18 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' HB1' ' CD ' ' A' ' 23' ' ' ARG . . . -58.95 -48.73 80.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' VAL . 16.8 mt -84.41 7.67 18.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 4.2 t 37.86 44.94 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.051 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.538 HD12 HD23 ' A' ' 38' ' ' LEU . 81.5 mt -65.52 125.03 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.39 -52.26 38.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.2 t -92.3 167.59 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 48' ' ' VAL . . . -103.12 -37.82 3.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.449 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.42 104.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 46' ' ' GLY . 26.6 m -147.06 164.89 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.2 m -127.22 137.4 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD22 ' CG1' ' A' ' 34' ' ' ILE . 7.5 tp -101.81 130.9 48.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 58' ' ' VAL . 7.9 m -141.76 175.34 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.734 HD12 ' HB ' ' A' ' 57' ' ' THR . 89.7 mt -81.77 138.35 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -85.71 16.45 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 8.2 pt-20 -117.79 -43.73 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 53.5 m-20 -124.8 -15.92 6.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.53 ' HA3' ' CG ' ' A' ' 83' ' ' TRP . . . 80.94 27.12 51.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.734 ' HB ' HD12 ' A' ' 52' ' ' LEU . 79.3 m -78.1 124.75 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.098 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' HG12 ' A' ' 51' ' ' VAL . 98.8 t -62.09 117.38 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 ' O ' HD21 ' A' ' 30' ' ' LEU . 63.5 t -104.28 92.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.09 26.51 9.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.1 p -130.42 151.15 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.09 -34.34 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 12.8 pt-20 -61.02 -39.6 90.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.75 -33.45 58.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 29' ' ' SER . 2.0 t80 -73.43 -37.12 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -64.87 -26.72 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 63' ' ' GLU . 74.0 p -78.83 -34.48 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD13 HG21 ' A' ' 72' ' ' THR . 65.1 mt -48.55 141.65 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.12 -162.46 28.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -87.33 154.48 20.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m120 57.65 39.47 27.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.411 HG21 HD13 ' A' ' 68' ' ' LEU . 64.0 m -78.29 122.82 26.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 13' ' ' ARG . 13.9 m80 -76.35 138.53 40.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -131.77 164.88 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' CE ' ' HG3' ' A' ' 19' ' ' ARG . 27.4 ttm -132.63 130.66 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 48' ' ' VAL . 2.6 tp -103.94 136.83 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 82' ' ' LYS . 43.2 mt -127.29 128.11 45.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.79 175.56 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -61.72 84.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.25 42.39 0.36 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -149.0 149.89 31.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -121.06 165.62 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.53 ' CG ' ' HA3' ' A' ' 56' ' ' GLY . 3.6 t90 -76.03 151.45 37.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 25.3 mtp -142.84 143.76 26.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HD3' ' CZ3' ' A' ' 83' ' ' TRP . 53.6 Cg_endo -69.8 -177.89 2.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 19' ' ' ARG . 39.8 p -99.01 -42.77 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.86 -158.55 33.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.17 64.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -151.58 160.62 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 m -123.58 118.38 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.921 . . . . . . . . 0 0 . 1 stop_ save_