data_2e5s_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 2e5s _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 ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG11 ' CD ' ' A' ' 43' ' ' PRO . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 18.6 m170 -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.462 ' CD ' HG11 ' A' ' 22' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.452 HD12 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 43.4 p-80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' LEU . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m170 -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.536 HG23 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 57' ' ' THR . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.4 p-80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 81' ' ' LEU . 26.5 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.697 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.0 p-80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 81' ' ' LEU . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.332 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 23' ' ' CYS . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' PHE . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' O ' ' CE2' ' A' ' 26' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 23.3 t-20 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.488 ' CE2' ' CD ' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.689 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.689 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 44.8 p-80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' CD ' ' CE2' ' A' ' 62' ' ' TYR . 19.2 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 56' ' ' VAL . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 19' ' ' LYS . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.443 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.687 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.4 p-80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 23.4 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.315 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' CG ' HD12 ' A' ' 49' ' ' ILE . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' A' ' 43' ' ' PRO . 96.2 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 58' ' ' VAL . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 57' ' ' THR . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 37.1 p-80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.7 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' ALA . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.0 p-80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.407 ' NE2' ' OH ' ' A' ' 62' ' ' TYR . 33.2 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.784 0.326 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' CYS . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.872 0.368 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.408 HG22 ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.431 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' A' ' 57' ' ' THR . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 36.8 p-80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG2' HG11 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.465 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ASP . 25.0 t-20 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CG2' ' CG ' ' A' ' 86' ' ' LYS . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 47.8 p-80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 18' ' ' ASP . 7.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 17' ' ' THR . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' A' ' 75' ' ' PHE . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 ' CG2' ' HG2' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CE2' HD12 ' A' ' 20' ' ' LEU . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.707 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.427 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' GLY . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 67' ' ' CYS . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.681 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.1 p-80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 23.7 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.415 ' C ' HG23 ' A' ' 58' ' ' VAL . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 58' ' ' VAL . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.444 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 49' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CG ' ' A' ' 43' ' ' PRO . 79.0 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 59' ' ' CYS . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 58' ' ' VAL . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.1 p-80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 46.5 m170 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 19' ' ' LYS . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.403 ' HB2' ' CB ' ' A' ' 74' ' ' TYR . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' OE1' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.567 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.714 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.546 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.547 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 20.2 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 56' ' ' VAL . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' NE ' ' HZ2' ' A' ' 84' ' ' LYS . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 m170 -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' CD ' HG11 ' A' ' 22' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 59' ' ' CYS . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' N ' HG11 ' A' ' 58' ' ' VAL . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.8 p-80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.4 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.532 ' HZ2' ' NE ' ' A' ' 39' ' ' ARG . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.8 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 59' ' ' CYS . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' HG11 ' A' ' 58' ' ' VAL . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HH ' ' NE2' ' A' ' 82' ' ' GLN . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.423 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.434 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 48.3 p-80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' NE2' ' HH ' ' A' ' 62' ' ' TYR . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CA ' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG11 ' CD ' ' A' ' 43' ' ' PRO . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.461 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 32.0 m170 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' CD ' HG11 ' A' ' 22' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ASP . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' HG2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.7 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 38.4 p-80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' CD ' ' A' ' 43' ' ' PRO . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.445 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 38.3 m170 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 59' ' ' CYS . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' N ' HG11 ' A' ' 58' ' ' VAL . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' ' 57' ' ' THR . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.4 p-80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 17.8 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.1 p-80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.0 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 m170 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 60' ' ' MET . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.431 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.698 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 42.1 p-80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.0 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 24.2 m170 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.6 p-80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -69.98 -44.76 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t 63.01 41.72 8.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.804 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.01 87.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -60.12 -57.58 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -169.11 144.97 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.47 40.97 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -49.39 -55.24 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 9' ' ' THR . 11.8 t -107.18 119.24 38.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.7 88.33 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -172.58 133.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -74.48 167.98 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -119.14 93.59 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.01 176.06 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 15' ' ' LEU . 2.3 pt? -156.74 132.57 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -114.97 170.33 8.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -124.21 -16.01 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG11 ' CD ' ' A' ' 43' ' ' PRO . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.468 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.454 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 18.6 m170 -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.462 ' CD ' HG11 ' A' ' 22' ' ' VAL . 53.7 Cg_endo -69.76 108.01 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.97 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.61 -40.03 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 58.76 49.91 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.07 -38.4 2.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.9 mtm -89.18 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.452 HD12 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt -109.45 131.15 61.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 43.4 p-80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 81' ' ' LEU . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.407 ' O ' ' NE2' ' A' ' 89' ' ' GLN . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.54 -46.06 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.83 -54.71 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 85' ' ' ILE . 2.6 mp0 -58.61 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' GLN . 6.7 t-80 -75.68 105.47 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' HIS . 64.9 mt-30 -37.86 127.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.62 175.83 12.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -88.62 154.67 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -102.56 153.51 20.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.86 173.14 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 176.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.89 154.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t 50.07 42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -86.23 138.15 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 -88.74 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -164.86 122.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -110.77 139.65 45.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -111.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -100.21 156.96 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -98.86 129.43 45.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 92.08 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 p -45.61 -45.58 13.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -140.44 177.87 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 78.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.01 150.95 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.74 161.22 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 154.91 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -109.2 -25.28 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m170 -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.02 31.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.62 -41.93 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.57 171.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.9 m -97.06 -48.37 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -87.81 49.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 ttt -120.87 -36.52 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 54.8 mt -81.24 143.79 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.536 HG23 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 57' ' ' THR . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.4 p-80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 81' ' ' LEU . 26.5 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.08 -52.48 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -41.15 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.53 -56.02 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' GLN . 13.7 m80 -95.37 106.68 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' HIS . 47.9 mm-40 -35.51 121.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.89 128.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -99.78 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -123.64 140.22 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.88 96.93 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 151.02 47.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.3 155.05 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -45.24 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -173.26 138.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 93.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -118.89 139.59 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -101.14 165.34 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 -107.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.427 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -94.09 105.15 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -149.88 140.6 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.31 40.77 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -106.6 147.49 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -151.99 125.65 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -146.81 107.89 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.58 125.18 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 tt -135.78 134.64 39.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -41.17 106.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -75.73 -26.14 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.69 101.83 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.7 -41.75 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' SER . 15.7 t70 -112.95 176.93 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' THR . 60.2 p 36.05 54.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' SER . 76.5 p -35.07 102.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 mtp -133.99 72.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt -113.38 150.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.697 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.0 p-80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 81' ' ' LEU . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.35 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.51 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.82 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -55.44 144.23 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -66.13 97.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.71 112.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -85.0 102.01 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -90.78 157.48 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.08 86.64 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.04 172.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.3 m -128.17 124.45 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -133.33 144.99 50.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -123.3 156.73 34.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -93.14 -60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t 48.68 43.04 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.22 165.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -103.08 131.87 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.803 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -117.0 144.26 44.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.45 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 p -120.92 -46.12 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -102.84 42.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -126.53 91.55 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.24 54.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -148.92 139.39 22.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 19' ' ' LYS . 1.1 ppt_? -165.92 144.33 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -124.64 35.97 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 23' ' ' CYS . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' PHE . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' O ' ' CE2' ' A' ' 26' ' ' PHE . 54.1 Cg_endo -69.69 161.8 44.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.72 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -143.64 177.89 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 10.0 t -87.31 42.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.4 m -106.14 -39.34 5.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.0 mmm -96.01 34.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' CD1' ' HA ' ' A' ' 46' ' ' SER . 22.7 mt -123.3 141.02 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 50' ' ' ASP . 23.3 t-20 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.488 ' CE2' ' CD ' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.689 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.689 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 44.8 p-80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' CD ' ' CE2' ' A' ' 62' ' ' TYR . 19.2 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.96 -54.27 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.45 -48.06 47.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 89' ' ' GLN . 8.0 mm-40 -45.98 -42.73 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -50.77 -58.74 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -123.96 -70.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -45.52 100.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.84 144.9 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -121.66 101.26 7.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.52 41.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.25 84.63 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.26 130.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -155.34 169.27 24.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -174.82 159.81 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 -150.6 10.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -124.17 83.23 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -158.47 106.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.43 74.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -44.63 -48.45 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -55.21 151.12 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.91 166.96 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -151.51 119.75 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -134.71 137.67 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 34.25 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.36 124.44 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.37 123.12 10.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -130.73 40.14 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -82.87 35.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 56' ' ' VAL . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 84' ' ' LYS . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo -69.77 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 -44.74 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -40.37 -53.56 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 p -143.89 175.53 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.7 p -91.82 46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 mtp -86.24 82.06 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.6 mt -136.62 151.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 19' ' ' LYS . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.443 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.687 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.4 p-80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 23.4 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.02 -52.68 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.63 -42.52 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.23 -41.43 81.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -56.25 -45.55 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -87.4 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.04 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -99.16 136.16 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -99.05 154.45 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.4 45.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.9 173.79 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.04 -55.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -148.74 118.76 7.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.04 167.8 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.25 98.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -118.12 131.41 56.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 m -92.52 174.81 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.76 -121.51 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m -91.93 158.37 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -155.16 153.51 30.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.12 139.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -148.61 119.39 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -93.06 144.31 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -80.94 42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.4 mt -135.65 105.28 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' C ' ' HD2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -151.9 175.38 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 6.2 mpt_? -146.4 118.91 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -108.26 -19.51 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG12 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' CG ' HD12 ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.65 91.43 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.53 -42.0 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -119.21 42.3 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.1 p -156.2 133.59 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 p -110.31 38.81 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.44 40.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' A' ' 43' ' ' PRO . 96.2 mt -88.83 131.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 58' ' ' VAL . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 ' N ' HG22 ' A' ' 57' ' ' THR . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 37.1 p-80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.7 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 83' ' ' ALA . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.58 -53.33 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.84 -46.14 15.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.85 -44.6 61.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -70.83 105.77 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.69 120.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.72 122.98 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -89.45 79.35 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -138.35 173.28 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.69 122.84 28.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -166.93 145.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.02 132.93 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -171.51 157.48 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -149.62 166.84 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 154.84 25.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -132.93 172.06 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -165.44 177.54 7.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.18 169.92 42.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -141.86 134.28 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -141.88 144.7 33.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.79 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -81.7 44.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -139.61 123.05 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.72 100.02 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mm? -61.21 119.35 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -110.92 -55.02 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -71.34 108.44 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 HG21 ' NE2' ' A' ' 89' ' ' GLN . 14.6 t -89.3 38.01 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.76 105.03 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -36.2 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 23.5 t70 -66.36 177.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' THR . 28.1 t -34.33 146.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 23.9 m -33.95 108.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mmm -135.0 42.67 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt -115.35 145.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 54' ' ' ASN . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.0 p-80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.407 ' NE2' ' OH ' ' A' ' 62' ' ' TYR . 33.2 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.04 -47.71 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.37 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' NE2' HG21 ' A' ' 17' ' ' THR . 10.3 mm-40 -53.19 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' GLN . 86.6 t60 -59.16 167.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 1.2 tm0? -91.71 104.06 16.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.74 148.31 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -86.0 42.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -82.79 -53.63 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.06 47.71 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.16 157.23 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.9 t -130.06 86.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -126.71 163.62 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -110.31 159.32 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 104.34 3.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -98.98 102.96 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -131.96 88.96 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.73 -141.76 5.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -52.34 150.68 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.7 m -95.81 108.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.47 136.61 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -122.89 -16.48 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.06 99.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -111.58 42.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.42 133.68 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.68 147.68 45.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -133.62 167.08 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -110.31 -19.51 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' CYS . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.552 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -170.77 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.42 13.79 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.42 35.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -99.11 -176.95 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.9 p -75.96 48.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.41 -27.39 6.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt -78.76 137.24 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.408 HG22 ' CE2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.431 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' A' ' 57' ' ' THR . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 36.8 p-80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.533 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -37.96 57.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.13 -52.24 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -42.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -61.26 -57.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -156.86 141.91 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.81 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -119.51 143.24 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.79 127.98 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.45 138.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 -56.18 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.6 m -100.81 -18.27 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -47.38 -25.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -56.23 156.23 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.23 92.1 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -160.69 175.61 12.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -160.89 174.26 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 165.75 28.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -128.95 110.64 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -124.96 123.81 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.74 -56.52 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m 38.47 46.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -93.46 93.93 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -125.43 175.24 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.12 162.12 15.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -38.97 141.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -142.63 135.8 28.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t -102.11 -22.75 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG2' HG11 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.465 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.56 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.25 2.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.18 10.19 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.26 44.35 22.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.4 p -113.52 40.57 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.3 m 63.21 45.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 mtp -125.79 43.4 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.5 mt -134.74 146.36 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ASP . 25.0 t-20 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.413 ' CG2' ' CG ' ' A' ' 86' ' ' LYS . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 47.8 p-80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.43 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.58 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -53.92 -60.48 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.95 117.34 22.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -57.09 110.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.92 111.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -97.19 129.99 44.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.66 -56.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.07 148.63 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.31 91.84 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.1 t -116.81 -45.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -143.27 160.61 40.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -113.39 -60.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -173.98 134.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -168.25 138.91 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.8 136.09 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 p -98.48 107.41 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -72.85 129.75 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 133.35 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -80.26 -43.38 21.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -92.04 45.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -95.7 38.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' C ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.37 154.87 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 pp -174.72 161.35 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -95.33 169.65 9.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 18' ' ' ASP . 7.5 t -113.55 -31.77 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 17' ' ' THR . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 HD12 ' CE2' ' A' ' 75' ' ' PHE . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 93.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.19 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.54 154.2 25.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.79 169.35 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 t 38.76 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.156 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 tpt -113.78 33.5 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.1 mt -136.03 152.34 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' CG2' ' HG2' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CE2' HD12 ' A' ' 20' ' ' LEU . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.707 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.427 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.57 -59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.39 -46.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.31 -46.58 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -43.98 160.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -110.67 134.61 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.51 149.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -83.48 46.89 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -111.58 103.02 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.2 44.36 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.91 -33.74 62.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.19 -42.43 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -174.14 158.99 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -154.19 175.52 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 -174.75 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -159.41 160.64 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -132.3 159.85 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.73 72.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -143.94 110.72 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.8 m -139.18 147.74 42.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.37 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -106.14 111.52 24.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 65.3 mt-30 -119.32 42.42 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 33.9 mttp -34.22 129.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.3 mt 53.69 40.71 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.03 139.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -117.97 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -110.43 -19.04 13.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' ' 34' ' ' GLY . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.13 -44.58 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' SER . 13.0 t0 -56.29 175.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' ASP . 21.5 m -35.7 152.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.6 p -41.89 105.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ttt -131.19 40.01 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.47 137.19 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.411 ' N ' ' HB2' ' A' ' 67' ' ' CYS . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.411 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.681 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.1 p-80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 23.7 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.26 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.06 71.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.5 -59.99 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -64.61 138.68 58.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -76.45 125.34 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.39 176.1 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.74 101.53 12.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -140.82 138.53 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.33 113.83 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.1 171.19 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.27 153.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -171.41 134.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -168.89 143.91 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 94.35 1.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -148.87 126.95 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -160.38 159.3 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.2 124.67 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -159.75 176.17 12.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.385 . . . . 0.0 110.905 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -129.73 141.89 50.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.13 167.29 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -66.39 86.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 92.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -55.16 155.66 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.2 mt -102.17 79.54 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.93 146.91 37.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtt-85 -116.61 85.17 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -131.5 31.6 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' C ' HG23 ' A' ' 58' ' ' VAL . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 58' ' ' VAL . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.444 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 49' ' ' ILE . 54.2 Cg_endo -69.75 79.85 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.38 -45.07 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' SER . 8.5 t0 -87.4 161.66 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ASP . 13.0 m -34.81 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.2 p -136.46 177.04 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -113.77 141.17 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.468 HD13 ' CG ' ' A' ' 43' ' ' PRO . 79.0 mt -137.58 131.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 54' ' ' ASN . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 59' ' ' CYS . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 58' ' ' VAL . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.1 p-80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -61.71 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -54.54 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -39.89 -60.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.89 128.67 35.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 50.57 52.0 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.83 116.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -91.89 -51.71 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -78.01 96.2 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.07 124.56 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.68 167.4 10.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.11 92.33 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -149.51 131.48 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -120.17 161.53 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.01 153.65 24.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -107.41 42.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -93.7 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.64 90.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -37.94 -48.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.831 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -87.42 -27.63 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.34 53.7 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.3 m -113.79 90.86 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.96 111.13 18.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -71.74 78.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -124.65 79.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 tt -171.72 151.93 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.92 129.76 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -121.21 -20.54 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 46.5 m170 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' CZ ' ' A' ' 26' ' ' PHE . 53.8 Cg_endo -69.77 169.57 18.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.3 11.83 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.31 41.85 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' THR . 77.6 p -117.8 73.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.533 ' C ' ' O ' ' A' ' 46' ' ' SER . 7.2 t 26.26 53.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.5 ptm -134.13 39.93 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt -131.47 134.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.567 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 19' ' ' LYS . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.403 ' HB2' ' CB ' ' A' ' 74' ' ' TYR . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' OE1' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.567 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.714 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.546 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.547 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 20.2 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -37.55 -50.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.06 -54.56 45.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -47.57 -51.06 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -62.41 148.5 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -85.5 41.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.99 160.58 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.7 84.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.62 -54.62 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.88 87.02 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.85 -27.99 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.2 m -50.32 -19.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -121.86 111.41 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -154.74 171.24 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.18 177.95 19.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -166.91 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -151.39 121.15 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 -96.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p -129.89 164.43 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.86 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -103.83 -46.44 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 117.8 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.1 p -111.08 170.38 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.48 112.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -108.04 160.5 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -110.15 112.77 24.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.48 -67.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -53.78 120.21 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -110.51 35.62 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 56' ' ' VAL . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' NE ' ' HZ2' ' A' ' 84' ' ' LYS . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 m170 -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' CD ' HG11 ' A' ' 22' ' ' VAL . 53.8 Cg_endo -69.7 85.12 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.82 -42.0 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -43.59 -48.91 7.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m -151.48 174.58 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -78.58 46.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 mmm -85.71 80.63 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 59' ' ' CYS . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' N ' HG11 ' A' ' 58' ' ' VAL . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.8 p-80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.4 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.532 ' HZ2' ' NE ' ' A' ' 39' ' ' ARG . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.47 -54.51 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.35 -59.91 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.32 -43.95 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -77.08 155.68 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -91.67 93.25 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.09 175.95 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.43 103.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.4 122.46 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.49 158.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -111.11 -34.75 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.48 135.82 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -157.73 118.31 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 p -158.86 155.88 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.26 178.32 45.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -159.61 114.11 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.48 133.16 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.52 -150.55 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.6 p -141.93 144.35 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -136.5 169.84 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.13 105.33 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -172.27 129.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -133.43 42.71 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.21 129.63 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD12 ' NH1' ' A' ' 16' ' ' ARG . 3.5 pp -86.46 156.24 20.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.8 137.21 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' NH1' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -95.06 168.74 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -127.65 -38.14 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 100.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.51 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.99 -26.14 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.5 m 52.34 44.02 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -125.49 -41.27 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.33 44.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.8 mt -105.79 138.5 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 59' ' ' CYS . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' HG11 ' A' ' 58' ' ' VAL . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.467 ' HH ' ' NE2' ' A' ' 82' ' ' GLN . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.423 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.434 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 48.3 p-80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' NE2' ' HH ' ' A' ' 62' ' ' TYR . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.04 -53.04 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.25 -52.39 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -57.29 -58.97 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.99 -67.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 118.32 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.28 162.16 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -118.64 -48.92 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -89.32 135.18 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.94 135.12 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.64 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.5 t -41.79 136.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 65.38 42.16 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -58.33 177.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.88 174.68 29.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -158.16 118.03 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -46.38 -51.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 -128.16 2.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.25 113.2 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.8 m -101.09 81.97 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.97 153.78 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -39.82 138.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -109.07 113.79 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -76.16 133.58 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -100.2 104.64 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . 4.2 mm? -89.97 -175.84 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ASP . 2.3 mmp_? -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.9 t 31.05 35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CA ' HG22 ' A' ' 58' ' ' VAL . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG11 ' CD ' ' A' ' 43' ' ' PRO . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 32.0 m170 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' CD ' HG11 ' A' ' 22' ' ' VAL . 54.2 Cg_endo -69.73 94.38 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.67 -41.45 9.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.01 -55.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -55.11 109.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -87.82 59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -111.22 43.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -92.89 138.8 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ASP . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CG2' ' HG2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.7 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 38.4 p-80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.498 ' O ' ' NE2' ' A' ' 89' ' ' GLN . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HG2' ' CG2' ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.12 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -55.71 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 85' ' ' ILE . 2.7 mp0 -49.16 -61.24 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -64.66 157.41 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -91.66 -179.68 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.55 44.94 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -82.42 120.71 25.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -78.67 161.9 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 67.14 41.53 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.2 167.35 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.91 156.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -160.36 168.41 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -170.2 165.64 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -150.98 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -100.39 84.17 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -99.13 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 101.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.81 142.79 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -77.67 121.8 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.21 110.34 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' LYS . 75.2 p -82.14 39.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . 30.2 pt20 35.39 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' THR . 19.2 ttmt -116.75 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 pp -170.76 178.8 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 tp 63.94 50.71 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -95.77 158.65 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -99.54 -29.24 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' CD ' ' A' ' 43' ' ' PRO . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' N ' HG12 ' A' ' 22' ' ' VAL . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.445 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 38.3 m170 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.35 -38.69 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.03 -50.21 74.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -132.73 164.46 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 t -95.8 40.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -81.99 81.25 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.73 147.72 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.558 HG22 ' CE2' ' A' ' 74' ' ' TYR . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 59' ' ' CYS . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' N ' HG11 ' A' ' 58' ' ' VAL . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' ' 57' ' ' THR . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.4 p-80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 17.8 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.54 -41.54 54.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.06 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.37 -49.98 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -73.64 123.47 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -74.21 102.99 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.44 96.16 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -164.8 108.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.1 155.77 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 159.99 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.93 124.11 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.0 m -91.58 141.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -128.51 109.2 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -75.14 -53.44 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.18 109.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -151.79 153.59 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -146.9 139.75 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.63 46.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -85.36 85.55 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -134.24 145.73 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.12 147.17 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -64.21 144.24 57.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -152.45 149.04 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.19 39.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -146.23 140.0 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 tp -155.49 157.57 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -142.8 155.54 44.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -126.49 -25.39 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.19 2.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.61 -44.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.6 133.18 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -46.62 -45.26 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 p -48.11 166.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttt 68.51 33.39 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.9 mt -136.4 130.93 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.1 p-80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.0 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -34.54 -50.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.35 -51.89 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -62.43 -54.11 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' CE1' ' O ' ' A' ' 91' ' ' GLN . 1.9 t-80 -68.77 123.47 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 90' ' ' HIS . 9.9 pt20 -42.1 119.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -141.79 137.13 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -68.15 88.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 94' ' ' GLN . 4.1 pp0? -170.8 157.15 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.43 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -159.96 109.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.8 p -108.26 124.97 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -154.52 137.59 15.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -147.91 176.28 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.89 126.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -147.5 171.2 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -136.91 164.68 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.14 92.33 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -154.71 137.13 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -138.75 163.75 31.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.36 153.42 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -106.88 83.25 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.89 44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' C ' HD22 ' A' ' 14' ' ' LEU . 9.9 mptt -99.34 39.18 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.1 pt? -162.86 122.17 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -175.17 163.78 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.97 163.58 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -103.16 -32.23 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG2' HG12 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 m170 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo -69.78 128.47 16.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.15 175.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -103.39 152.01 22.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.7 m 56.17 42.05 28.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 tpp -127.61 36.64 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.2 141.33 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG12 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 60' ' ' MET . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.431 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.698 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 42.1 p-80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.0 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.71 -59.88 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' HB3' ' CB ' ' A' ' 98' ' ' ALA . . . -43.23 -49.33 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -54.14 -58.92 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -76.11 169.82 17.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.62 110.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.1 176.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.14 129.84 49.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 58.15 43.31 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 51.44 44.82 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.67 81.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 98' ' ' ALA . 13.2 p -49.43 141.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 88' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.3 p -47.11 -40.84 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m 36.44 42.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 131.47 6.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -161.75 168.43 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -150.97 161.2 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.32 -62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t 71.21 41.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -132.5 149.84 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.33 151.57 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.2 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -43.09 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.52 136.83 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.95 89.0 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 tp -131.9 -56.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -143.21 156.48 44.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -91.0 -22.26 20.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 75' ' ' PHE . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 24.2 m170 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 83.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -11.17 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 4.5 p30 -92.79 6.9 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASP . 6.3 m 36.01 47.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -164.36 178.86 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.8 mtm 61.71 37.87 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt -114.68 148.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.463 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.463 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.403 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.6 p-80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.31 -35.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.8 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -64.6 -58.07 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -65.02 -55.12 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -104.18 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.68 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 69.77 43.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' ALA . 29.7 tp60 51.31 40.63 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -34.03 110.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.73 175.62 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.96 136.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 58' ' ' VAL . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG2' HG13 ' A' ' 56' ' ' VAL . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.541 HD11 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 HD12 ' A' ' 20' ' ' LEU . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 82' ' ' GLN . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.688 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.7 p80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.688 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.586 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.508 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 43' ' ' PRO . 54.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.686 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 18.4 p80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 78' ' ' PRO . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.446 ' HG2' HD13 ' A' ' 63' ' ' ILE . 25.7 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.497 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 58' ' ' VAL . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 56' ' ' VAL . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 20' ' ' LEU . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 82' ' ' GLN . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.572 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 16.7 p80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 ' CG ' ' A' ' 78' ' ' PRO . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 63' ' ' ILE . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 HG23 ' A' ' 85' ' ' ILE . 15.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.332 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD21 HD22 ' A' ' 81' ' ' LEU . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.608 ' CG2' HG13 ' A' ' 56' ' ' VAL . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' A' ' 49' ' ' ILE . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 43' ' ' PRO . 22.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 4.3 t30 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.61 ' CE2' ' NE2' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.3 p80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 78' ' ' PRO . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.61 ' NE2' ' CE2' ' A' ' 62' ' ' TYR . 36.6 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 17' ' ' THR . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' CA ' ' HB ' ' A' ' 58' ' ' VAL . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' O ' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' HD21 ' A' ' 81' ' ' LEU . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' ' 43' ' ' PRO . 25.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' CA ' ' A' ' 18' ' ' ASP . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.598 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 25.6 p80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 78' ' ' PRO . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 31.1 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.682 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.315 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD12 HG22 ' A' ' 58' ' ' VAL . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG13 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.485 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CA ' ' HB3' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' CD ' HG13 ' A' ' 22' ' ' VAL . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 55' ' ' THR . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 53' ' ' ASP . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 20' ' ' LEU . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.728 HG22 HD12 ' A' ' 20' ' ' LEU . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.629 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.682 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 29.3 p80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.789 HD23 ' HE2' ' A' ' 84' ' ' LYS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 29.2 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.789 ' HE2' HD23 ' A' ' 81' ' ' LEU . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.753 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 HG23 ' A' ' 85' ' ' ILE . 14.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 77' ' ' PRO . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.476 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 55' ' ' THR . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 53' ' ' ASP . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.526 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.722 HG11 HD13 ' A' ' 85' ' ' ILE . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD13 ' HG2' ' A' ' 82' ' ' GLN . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 22.3 p80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.644 ' HG2' HD13 ' A' ' 63' ' ' ILE . 38.3 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.722 HD13 HG11 ' A' ' 58' ' ' VAL . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.784 0.326 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' A' ' 56' ' ' VAL . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.543 HE21 HD13 ' A' ' 49' ' ' ILE . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.793 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.793 HD11 ' CG ' ' A' ' 43' ' ' PRO . 25.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.872 0.368 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' A' ' 22' ' ' VAL . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 20' ' ' LEU . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 63' ' ' ILE . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.654 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 16.9 p80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 85' ' ' ILE . 38.1 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 41' ' ' ALA . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.675 ' CG2' HG13 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' HD13 ' A' ' 49' ' ' ILE . 16.3 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.6 m-70 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.426 HD13 ' OE1' ' A' ' 27' ' ' GLN . 40.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 22' ' ' VAL . 5.3 t30 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' HG2' ' A' ' 82' ' ' GLN . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.526 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 18.1 p80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' LYS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' HD13 ' A' ' 63' ' ' ILE . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.538 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 41' ' ' ALA . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 50' ' ' ASP . 17.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG23 ' HG3' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.7 ' CD ' HD12 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.611 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 12.6 p80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.7 HD12 ' CD ' ' A' ' 78' ' ' PRO . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' LEU . 10.9 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HG3' HG23 ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 77' ' ' PRO . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' HA ' HG22 ' A' ' 55' ' ' THR . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 56' ' ' VAL . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' ARG . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 21' ' ' GLU . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.631 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.6 p80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 78' ' ' PRO . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.554 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 40.1 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 56' ' ' VAL . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 55' ' ' THR . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.599 ' O ' HD21 ' A' ' 81' ' ' LEU . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.783 ' O ' HG23 ' A' ' 55' ' ' THR . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 67' ' ' CYS . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 61' ' ' ASP . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 24.5 p80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 39' ' ' ARG . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 58' ' ' VAL . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 55' ' ' THR . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 20' ' ' LEU . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 21' ' ' GLU . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 20' ' ' LEU . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.697 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 63' ' ' ILE . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.696 ' CD ' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.623 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 18.5 p80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD12 ' CD ' ' A' ' 78' ' ' PRO . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.697 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 35.8 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.552 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 55' ' ' THR . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD ' ' A' ' 43' ' ' PRO . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.521 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.615 ' CD ' HD12 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 13.5 p80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 78' ' ' PRO . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 33.9 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LEU . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 58' ' ' VAL . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.713 ' CG2' HG13 ' A' ' 56' ' ' VAL . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' HD21 ' A' ' 81' ' ' LEU . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.531 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 43' ' ' PRO . 50.8 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' ASP . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG13 ' CG2' ' A' ' 22' ' ' VAL . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.428 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG22 HD12 ' A' ' 20' ' ' LEU . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.499 ' CG ' ' NE2' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 78' ' ' PRO . 17.7 p80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 39' ' ' ARG . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' THR . 12.9 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 56' ' ' VAL . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.722 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' ASP . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.2 m-70 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.464 HD11 ' CG ' ' A' ' 43' ' ' PRO . 91.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 53' ' ' ASP . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 58' ' ' VAL . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HD12 ' A' ' 20' ' ' LEU . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.701 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 21.3 p80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.701 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.514 ' HG2' HD13 ' A' ' 63' ' ' ILE . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE2' HG22 ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 55' ' ' THR . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.554 ' CG2' HG13 ' A' ' 56' ' ' VAL . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' N ' ' HB2' ' A' ' 31' ' ' CYS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.781 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.7 m-70 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 43' ' ' PRO . 44.9 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 21' ' ' GLU . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.781 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 16.5 p80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 84' ' ' LYS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 33.6 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD12 ' CG2' ' A' ' 58' ' ' VAL . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 56' ' ' VAL . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.444 HD11 ' CG ' ' A' ' 43' ' ' PRO . 96.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 22' ' ' VAL . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.57 ' CG2' HD12 ' A' ' 20' ' ' LEU . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.3 p80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 78' ' ' PRO . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.5 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 58' ' ' VAL . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 55' ' ' THR . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.723 ' CG2' HG13 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' HD11 ' A' ' 81' ' ' LEU . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.1 m-70 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 55' ' ' THR . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ASP . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.723 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HD12 ' A' ' 20' ' ' LEU . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.401 ' O ' HG12 ' A' ' 63' ' ' ILE . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.459 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 63' ' ' ILE . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.569 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.569 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 21.5 p80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.9 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.411 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 41' ' ' ALA . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 55' ' ' THR . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.8 m-70 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' GLU . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.504 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 20.8 p80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 78' ' ' PRO . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.8 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -69.98 -44.76 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t 63.01 41.72 8.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.804 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.01 87.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -60.12 -57.58 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -169.11 144.97 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.47 40.97 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -49.39 -55.24 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 9' ' ' THR . 11.8 t -107.18 119.24 38.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.7 88.33 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -172.58 133.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -74.48 167.98 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -119.14 93.59 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.01 176.06 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.3 pt? -156.74 132.57 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -114.97 170.33 8.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -124.21 -16.01 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 58' ' ' VAL . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG2' HG13 ' A' ' 56' ' ' VAL . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 18.6 m170 -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.76 108.01 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.97 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.61 -40.03 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 58.76 49.91 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.07 -38.4 2.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.9 mtm -89.18 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.541 HD11 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt -109.45 131.15 61.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 HD12 ' A' ' 20' ' ' LEU . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 82' ' ' GLN . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.688 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.7 p80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.688 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.586 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.508 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.54 -46.06 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.83 -54.71 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.61 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' GLN . 6.7 t-80 -75.68 105.47 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' HIS . 64.9 mt-30 -37.86 127.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.62 175.83 12.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -88.62 154.67 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -102.56 153.51 20.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.86 173.14 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 176.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.89 154.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t 50.07 42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -86.23 138.15 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 -88.74 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -164.86 122.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -110.77 139.65 45.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -111.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -100.21 156.96 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -98.86 129.43 45.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 92.08 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 p -45.61 -45.58 13.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -140.44 177.87 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 78.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.01 150.95 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.74 161.22 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 154.91 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -109.2 -25.28 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m170 -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.76 136.02 31.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.62 -41.93 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.57 171.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.9 m -97.06 -48.37 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -87.81 49.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 ttt -120.87 -36.52 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 43' ' ' PRO . 54.8 mt -81.24 143.79 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.686 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 18.4 p80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 78' ' ' PRO . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.446 ' HG2' HD13 ' A' ' 63' ' ' ILE . 25.7 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.497 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.08 -52.48 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -41.15 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.53 -56.02 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' GLN . 13.7 m80 -95.37 106.68 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' HIS . 47.9 mm-40 -35.51 121.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.89 128.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -99.78 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -123.64 140.22 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.88 96.93 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 151.02 47.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.3 155.05 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -45.24 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -173.26 138.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 93.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -118.89 139.59 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -101.14 165.34 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 -107.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.427 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -94.09 105.15 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -149.88 140.6 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.31 40.77 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -106.6 147.49 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -151.99 125.65 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -146.81 107.89 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.58 125.18 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 16' ' ' ARG . 7.3 tt -135.78 134.64 39.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.17 106.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -75.73 -26.14 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 58' ' ' VAL . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 56' ' ' VAL . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.69 101.83 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.7 -41.75 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' SER . 15.7 t70 -112.95 176.93 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' THR . 60.2 p 36.05 54.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' SER . 76.5 p -35.07 102.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 mtp -133.99 72.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt -113.38 150.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 20' ' ' LEU . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 82' ' ' GLN . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.572 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 16.7 p80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.499 HD12 ' CG ' ' A' ' 78' ' ' PRO . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 63' ' ' ILE . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.35 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.51 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.82 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -55.44 144.23 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -66.13 97.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.71 112.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -85.0 102.01 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -90.78 157.48 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.08 86.64 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.04 172.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 97' ' ' VAL . 34.3 m -128.17 124.45 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -133.33 144.99 50.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -123.3 156.73 34.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -93.14 -60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t 48.68 43.04 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.22 165.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -103.08 131.87 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.803 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -117.0 144.26 44.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.45 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 p -120.92 -46.12 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -102.84 42.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -126.53 91.55 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.24 54.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -148.92 139.39 22.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 19' ' ' LYS . 1.1 ppt_? -165.92 144.33 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 HG23 ' A' ' 85' ' ' ILE . 15.3 t -124.64 35.97 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD21 HD22 ' A' ' 81' ' ' LEU . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.608 ' CG2' HG13 ' A' ' 56' ' ' VAL . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' A' ' 49' ' ' ILE . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.69 161.8 44.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.72 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -143.64 177.89 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 49' ' ' ILE . 10.0 t -87.31 42.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.4 m -106.14 -39.34 5.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.51 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.0 mmm -96.01 34.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 46' ' ' SER . 22.7 mt -123.3 141.02 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 4.3 t30 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.61 ' CE2' ' NE2' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.3 p80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 78' ' ' PRO . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.61 ' NE2' ' CE2' ' A' ' 62' ' ' TYR . 36.6 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 17' ' ' THR . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.96 -54.27 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . . . -49.45 -48.06 47.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -45.98 -42.73 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -50.77 -58.74 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -123.96 -70.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -45.52 100.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.84 144.9 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -121.66 101.26 7.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.52 41.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.25 84.63 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.26 130.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -155.34 169.27 24.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -174.82 159.81 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 -150.6 10.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -124.17 83.23 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -158.47 106.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.43 74.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -44.63 -48.45 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -55.21 151.12 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.91 166.96 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -151.51 119.75 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -134.71 137.67 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 34.25 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.36 124.44 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.37 123.12 10.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -130.73 40.14 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -82.87 35.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' CA ' ' HB ' ' A' ' 58' ' ' VAL . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' O ' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' HD21 ' A' ' 81' ' ' LEU . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.77 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 -44.74 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -40.37 -53.56 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 p -143.89 175.53 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.7 p -91.82 46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 mtp -86.24 82.06 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' ' 43' ' ' PRO . 25.6 mt -136.62 151.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' CA ' ' A' ' 18' ' ' ASP . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.598 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 25.6 p80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 78' ' ' PRO . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 31.1 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.682 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.02 -52.68 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.63 -42.52 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -68.23 -41.43 81.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -56.25 -45.55 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.4 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.04 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -99.16 136.16 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -99.05 154.45 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.4 45.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.9 173.79 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.04 -55.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -148.74 118.76 7.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.04 167.8 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.25 98.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -118.12 131.41 56.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 m -92.52 174.81 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.76 -121.51 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m -91.93 158.37 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -155.16 153.51 30.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.12 139.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -148.61 119.39 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -93.06 144.31 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -80.94 42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.4 mt -135.65 105.28 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -151.9 175.38 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 6.2 mpt_? -146.4 118.91 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -108.26 -19.51 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD12 HG22 ' A' ' 58' ' ' VAL . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG13 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.485 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CA ' ' HB3' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' CD ' HG13 ' A' ' 22' ' ' VAL . 54.3 Cg_endo -69.65 91.43 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.53 -42.0 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -119.21 42.3 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.1 p -156.2 133.59 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 p -110.31 38.81 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.44 40.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.83 131.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 55' ' ' THR . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 53' ' ' ASP . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 20' ' ' LEU . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.728 HG22 HD12 ' A' ' 20' ' ' LEU . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.629 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.682 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 29.3 p80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.789 HD23 ' HE2' ' A' ' 84' ' ' LYS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 29.2 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.789 ' HE2' HD23 ' A' ' 81' ' ' LEU . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.753 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.58 -53.33 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.84 -46.14 15.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -72.85 -44.6 61.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -70.83 105.77 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.69 120.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.72 122.98 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -89.45 79.35 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -138.35 173.28 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.69 122.84 28.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -166.93 145.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.02 132.93 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -171.51 157.48 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -149.62 166.84 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 154.84 25.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -132.93 172.06 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -165.44 177.54 7.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.18 169.92 42.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -141.86 134.28 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -141.88 144.7 33.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.79 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -81.7 44.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -139.61 123.05 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.72 100.02 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.21 119.35 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -110.92 -55.02 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -71.34 108.44 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 88' ' ' ALA . 14.6 t -89.3 38.01 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 77' ' ' PRO . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.76 105.03 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -36.2 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 23.5 t70 -66.36 177.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' THR . 28.1 t -34.33 146.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 23.9 m -33.95 108.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mmm -135.0 42.67 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt -115.35 145.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 55' ' ' THR . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 53' ' ' ASP . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.722 HG11 HD13 ' A' ' 85' ' ' ILE . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD13 ' HG2' ' A' ' 82' ' ' GLN . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.586 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 22.3 p80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.644 ' HG2' HD13 ' A' ' 63' ' ' ILE . 38.3 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.722 HD13 HG11 ' A' ' 58' ' ' VAL . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.04 -47.71 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB3' HG21 ' A' ' 17' ' ' THR . . . -58.91 -50.37 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -53.19 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' GLN . 86.6 t60 -59.16 167.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 1.2 tm0? -91.71 104.06 16.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.74 148.31 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -86.0 42.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -82.79 -53.63 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.06 47.71 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.16 157.23 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.9 t -130.06 86.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -126.71 163.62 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -110.31 159.32 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 104.34 3.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -98.98 102.96 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -131.96 88.96 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.73 -141.76 5.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -52.34 150.68 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.7 m -95.81 108.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.47 136.61 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -122.89 -16.48 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.06 99.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -111.58 42.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.42 133.68 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.68 147.68 45.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -133.62 167.08 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -110.31 -19.51 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' A' ' 56' ' ' VAL . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.543 HE21 HD13 ' A' ' 49' ' ' ILE . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.793 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.79 -170.77 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.42 13.79 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.42 35.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -99.11 -176.95 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.9 p -75.96 48.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.41 -27.39 6.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.793 HD11 ' CG ' ' A' ' 43' ' ' PRO . 25.2 mt -78.76 137.24 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' A' ' 22' ' ' VAL . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 20' ' ' LEU . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 63' ' ' ILE . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.654 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 16.9 p80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 85' ' ' ILE . 38.1 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -37.96 57.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.13 -52.24 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -42.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -61.26 -57.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -156.86 141.91 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.81 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -119.51 143.24 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.79 127.98 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -144.45 138.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 -56.18 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.6 m -100.81 -18.27 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -47.38 -25.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -56.23 156.23 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.23 92.1 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -160.69 175.61 12.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -160.89 174.26 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 165.75 28.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -128.95 110.64 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -124.96 123.81 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.74 -56.52 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m 38.47 46.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -93.46 93.93 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -125.43 175.24 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 14' ' ' LEU . 1.5 pt? -112.12 162.12 15.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -38.97 141.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -142.63 135.8 28.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.652 HG21 ' NE2' ' A' ' 89' ' ' GLN . 5.5 t -102.11 -22.75 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 41' ' ' ALA . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.675 ' CG2' HG13 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' OE1' HD13 ' A' ' 49' ' ' ILE . 16.3 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.3 m170 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.8 Cg_endo -69.75 -179.25 2.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.18 10.19 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.26 44.35 22.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.4 p -113.52 40.57 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 47' ' ' THR . 20.3 m 63.21 45.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 mtp -125.79 43.4 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.426 HD13 ' OE1' ' A' ' 27' ' ' GLN . 40.5 mt -134.74 146.36 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 22' ' ' VAL . 5.3 t30 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' HG2' ' A' ' 82' ' ' GLN . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.526 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 18.1 p80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' LYS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' HD13 ' A' ' 63' ' ' ILE . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.538 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.43 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.58 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.652 ' NE2' HG21 ' A' ' 17' ' ' THR . 10.0 mm100 -53.92 -60.48 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.95 117.34 22.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -57.09 110.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.92 111.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -97.19 129.99 44.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.66 -56.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.07 148.63 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.31 91.84 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.1 t -116.81 -45.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -143.27 160.61 40.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -113.39 -60.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -173.98 134.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -168.25 138.91 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.8 136.09 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 p -98.48 107.41 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -72.85 129.75 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 13' ' ' LYS . . . -103.91 133.35 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -80.26 -43.38 21.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -92.04 45.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 51.3 tttp -95.7 38.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.835 HD22 ' C ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.37 154.87 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.7 pp -174.72 161.35 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -95.33 169.65 9.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -113.55 -31.77 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 41' ' ' ALA . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.1 Cg_endo -69.71 93.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.19 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.54 154.2 25.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.79 169.35 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 t 38.76 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.156 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 tpt -113.78 33.5 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 50' ' ' ASP . 17.1 mt -136.03 152.34 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ASP . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG23 ' HG3' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.7 ' CD ' HD12 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 12.6 p80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.7 HD12 ' CD ' ' A' ' 78' ' ' PRO . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' LEU . 10.9 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HG3' HG23 ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.57 -59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.39 -46.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.31 -46.58 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -43.98 160.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -110.67 134.61 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.51 149.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -83.48 46.89 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -111.58 103.02 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.2 44.36 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.91 -33.74 62.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 98' ' ' ALA . 28.0 m -121.19 -42.43 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 97' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -174.14 158.99 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -154.19 175.52 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 -174.75 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -159.41 160.64 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -132.3 159.85 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.73 72.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -143.94 110.72 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.8 m -139.18 147.74 42.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.37 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -106.14 111.52 24.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 65.3 mt-30 -119.32 42.42 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 33.9 mttp -34.22 129.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.3 mt 53.69 40.71 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.03 139.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -117.97 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -110.43 -19.04 13.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 77' ' ' PRO . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' HA ' HG22 ' A' ' 55' ' ' THR . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 56' ' ' VAL . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' ARG . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.75 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.13 -44.58 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' SER . 13.0 t0 -56.29 175.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' ASP . 21.5 m -35.7 152.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.6 p -41.89 105.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ttt -131.19 40.01 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.47 137.19 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 21' ' ' GLU . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.631 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.6 p80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 78' ' ' PRO . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.554 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 40.1 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.26 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.06 71.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.5 -59.99 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 138.68 58.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -76.45 125.34 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.39 176.1 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.74 101.53 12.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -140.82 138.53 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.33 113.83 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.1 171.19 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.27 153.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -171.41 134.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -168.89 143.91 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 94.35 1.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -148.87 126.95 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -160.38 159.3 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.2 124.67 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -159.75 176.17 12.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.385 . . . . 0.0 110.905 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -129.73 141.89 50.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.13 167.29 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -66.39 86.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 92.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -55.16 155.66 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.2 mt -102.17 79.54 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.93 146.91 37.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtt-85 -116.61 85.17 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -131.5 31.6 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 56' ' ' VAL . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 55' ' ' THR . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.599 ' O ' HD21 ' A' ' 81' ' ' LEU . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.2 Cg_endo -69.75 79.85 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.38 -45.07 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 8.5 t0 -87.4 161.66 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ASP . 13.0 m -34.81 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 45' ' ' ASP . 50.2 p -136.46 177.04 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -113.77 141.17 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -137.58 131.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.783 ' O ' HG23 ' A' ' 55' ' ' THR . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 67' ' ' CYS . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 61' ' ' ASP . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 24.5 p80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 39' ' ' ARG . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' OE1' ' A' ' 89' ' ' GLN . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -61.71 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -54.54 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' OE1' HG22 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -39.89 -60.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.89 128.67 35.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 50.57 52.0 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.83 116.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -91.89 -51.71 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -78.01 96.2 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.07 124.56 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.68 167.4 10.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.11 92.33 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -149.51 131.48 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -120.17 161.53 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.01 153.65 24.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -107.41 42.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -93.7 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.64 90.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -37.94 -48.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.831 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -87.42 -27.63 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.34 53.7 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.3 m -113.79 90.86 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.96 111.13 18.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -71.74 78.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -124.65 79.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 15' ' ' LEU . 7.2 tt -171.72 151.93 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.8 mmp_? -146.92 129.76 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -121.21 -20.54 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 58' ' ' VAL . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 55' ' ' THR . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 20' ' ' LEU . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 46.5 m170 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 169.57 18.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.3 11.83 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.31 41.85 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' THR . 77.6 p -117.8 73.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.733 ' O ' HG23 ' A' ' 47' ' ' THR . 7.2 t 26.26 53.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.5 ptm -134.13 39.93 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt -131.47 134.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 21' ' ' GLU . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 20' ' ' LEU . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.697 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 63' ' ' ILE . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.696 ' CD ' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.623 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 18.5 p80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD12 ' CD ' ' A' ' 78' ' ' PRO . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.697 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 35.8 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.552 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -37.55 -50.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.06 -54.56 45.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -47.57 -51.06 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -62.41 148.5 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -85.5 41.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.99 160.58 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.7 84.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.62 -54.62 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.88 87.02 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.85 -27.99 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.2 m -50.32 -19.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -121.86 111.41 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -154.74 171.24 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.18 177.95 19.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -166.91 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -151.39 121.15 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 -96.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p -129.89 164.43 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.86 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -103.83 -46.44 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 117.8 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.1 p -111.08 170.38 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.48 112.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -108.04 160.5 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -110.15 112.77 24.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.48 -67.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -53.78 120.21 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -110.51 35.62 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 55' ' ' THR . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD ' ' A' ' 43' ' ' PRO . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 m170 -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.8 Cg_endo -69.7 85.12 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -107.82 -42.0 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -43.59 -48.91 7.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m -151.48 174.58 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -78.58 46.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 mmm -85.71 80.63 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.615 ' CD ' HD12 ' A' ' 81' ' ' LEU . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 13.5 p80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 78' ' ' PRO . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 33.9 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LEU . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.47 -54.51 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.35 -59.91 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.32 -43.95 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -77.08 155.68 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -91.67 93.25 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.09 175.95 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.43 103.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.4 122.46 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.49 158.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -111.11 -34.75 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.48 135.82 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -157.73 118.31 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 p -158.86 155.88 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.26 178.32 45.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -159.61 114.11 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.48 133.16 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.52 -150.55 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.6 p -141.93 144.35 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -136.5 169.84 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.13 105.33 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -172.27 129.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -133.43 42.71 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.21 129.63 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD13 ' NH1' ' A' ' 16' ' ' ARG . 3.5 pp -86.46 156.24 20.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.8 137.21 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.743 ' NH1' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -95.06 168.74 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -127.65 -38.14 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 58' ' ' VAL . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.713 ' CG2' HG13 ' A' ' 56' ' ' VAL . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' HD21 ' A' ' 81' ' ' LEU . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.531 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.74 100.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.51 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.99 -26.14 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.5 m 52.34 44.02 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -125.49 -41.27 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.33 44.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 43' ' ' PRO . 50.8 mt -105.79 138.5 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' ASP . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG13 ' CG2' ' A' ' 22' ' ' VAL . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.428 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG22 HD12 ' A' ' 20' ' ' LEU . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.499 ' CG ' ' NE2' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.499 ' NE2' ' CG ' ' A' ' 78' ' ' PRO . 17.7 p80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 39' ' ' ARG . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.04 -53.04 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.25 -52.39 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -57.29 -58.97 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -53.99 -67.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.67 118.32 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.28 162.16 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -118.64 -48.92 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -89.32 135.18 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.94 135.12 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.64 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.5 t -41.79 136.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 65.38 42.16 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -58.33 177.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.88 174.68 29.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -158.16 118.03 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -46.38 -51.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 -128.16 2.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.25 113.2 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.8 m -101.09 81.97 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.97 153.78 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -39.82 138.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -109.07 113.79 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -76.16 133.58 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -100.2 104.64 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . 4.2 mm? -89.97 -175.84 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ASP . 2.3 mmp_? -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.9 t 31.05 35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 56' ' ' VAL . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.722 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' ASP . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 32.0 m170 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.2 Cg_endo -69.73 94.38 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.67 -41.45 9.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.01 -55.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -55.11 109.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -87.82 59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG12 ' A' ' 56' ' ' VAL . 3.5 mpp? -111.22 43.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.464 HD11 ' CG ' ' A' ' 43' ' ' PRO . 91.9 mt -92.89 138.8 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 53' ' ' ASP . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 58' ' ' VAL . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HD12 ' A' ' 20' ' ' LEU . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.701 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 21.3 p80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.701 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.514 ' HG2' HD13 ' A' ' 63' ' ' ILE . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 85' ' ' ILE . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE2' HG22 ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -46.9 -43.12 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -55.71 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 85' ' ' ILE . 2.7 mp0 -49.16 -61.24 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -64.66 157.41 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -91.66 -179.68 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.55 44.94 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.586 ' OD1' ' HB1' ' A' ' 87' ' ' ALA . 20.5 t30 -82.42 120.71 25.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 5.4 pm0 -78.67 161.9 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . 67.14 41.53 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.2 167.35 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.91 156.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -160.36 168.41 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -170.2 165.64 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -150.98 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -100.39 84.17 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -99.13 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 101.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.81 142.79 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 9' ' ' THR . 15.3 t -77.67 121.8 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.21 110.34 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' LYS . 75.2 p -82.14 39.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . 30.2 pt20 35.39 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' THR . 19.2 ttmt -116.75 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 15' ' ' LEU . 4.6 pp -170.76 178.8 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 14' ' ' LEU . 20.2 tp 63.94 50.71 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -95.77 158.65 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -99.54 -29.24 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 55' ' ' THR . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.554 ' CG2' HG13 ' A' ' 56' ' ' VAL . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.781 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 38.3 m170 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.35 -38.69 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.03 -50.21 74.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -132.73 164.46 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 47' ' ' THR . 13.9 t -95.8 40.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -81.99 81.25 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 43' ' ' PRO . 44.9 mt -131.73 147.72 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 21' ' ' GLU . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.781 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 16.5 p80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 84' ' ' LYS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 33.6 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.54 -41.54 54.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.06 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.37 -49.98 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -73.64 123.47 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -74.21 102.99 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.44 96.16 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -164.8 108.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.1 155.77 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 159.99 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.93 124.11 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.0 m -91.58 141.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -128.51 109.2 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -75.14 -53.44 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.18 109.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -151.79 153.59 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -146.9 139.75 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.63 46.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -85.36 85.55 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -134.24 145.73 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.12 147.17 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -64.21 144.24 57.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -152.45 149.04 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.19 39.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -146.23 140.0 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 tp -155.49 157.57 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -142.8 155.54 44.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -126.49 -25.39 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD12 ' CG2' ' A' ' 58' ' ' VAL . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 56' ' ' VAL . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.78 111.19 2.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.61 -44.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.6 133.18 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.4 m -46.62 -45.26 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 p -48.11 166.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttt 68.51 33.39 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 46' ' ' SER . 96.9 mt -136.4 130.93 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 22' ' ' VAL . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.57 ' CG2' HD12 ' A' ' 20' ' ' LEU . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CE1' ' HG2' ' A' ' 78' ' ' PRO . 20.3 p80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD12 ' CG ' ' A' ' 78' ' ' PRO . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.5 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -34.54 -50.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.35 -51.89 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -62.43 -54.11 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' CE1' ' O ' ' A' ' 91' ' ' GLN . 1.9 t-80 -68.77 123.47 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 90' ' ' HIS . 9.9 pt20 -42.1 119.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -141.79 137.13 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -68.15 88.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' C ' ' CD ' ' A' ' 94' ' ' GLN . 4.1 pp0? -170.8 157.15 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.43 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -159.96 109.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 97' ' ' VAL . 11.8 p -108.26 124.97 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -154.52 137.59 15.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -147.91 176.28 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.89 126.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -147.5 171.2 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -136.91 164.68 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.14 92.33 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -154.71 137.13 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -138.75 163.75 31.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.36 153.42 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -106.88 83.25 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.89 44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -99.34 39.18 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.1 pt? -162.86 122.17 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -175.17 163.78 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.97 163.58 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -103.16 -32.23 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 58' ' ' VAL . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 55' ' ' THR . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.723 ' CG2' HG13 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' HD11 ' A' ' 81' ' ' LEU . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 m170 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo -69.78 128.47 16.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.15 175.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -103.39 152.01 22.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 47' ' ' THR . 18.7 m 56.17 42.05 28.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 tpp -127.61 36.64 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.2 141.33 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 55' ' ' THR . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ASP . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HD12 ' A' ' 20' ' ' LEU . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.401 ' O ' HG12 ' A' ' 63' ' ' ILE . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.459 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 63' ' ' ILE . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.569 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.569 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 21.5 p80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.9 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.411 HD12 ' H ' ' A' ' 85' ' ' ILE . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.71 -59.88 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB2' ' CB ' ' A' ' 98' ' ' ALA . . . -43.23 -49.33 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -54.14 -58.92 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -76.11 169.82 17.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.62 110.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.1 176.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.14 129.84 49.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 58.15 43.31 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 51.44 44.82 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.67 81.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.2 p -49.43 141.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.3 p -47.11 -40.84 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m 36.44 42.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 131.47 6.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -161.75 168.43 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -150.97 161.2 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.32 -62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t 71.21 41.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -132.5 149.84 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.33 151.57 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 11' ' ' THR . 20.2 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -43.09 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.52 136.83 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.95 89.0 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 tp -131.9 -56.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -143.21 156.48 44.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -91.0 -22.26 20.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 41' ' ' ALA . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 55' ' ' THR . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 24.2 m170 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 83.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -11.17 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 4.5 p30 -92.79 6.9 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASP . 6.3 m 36.01 47.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 45' ' ' ASP . 12.9 t -164.36 178.86 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.8 mtm 61.71 37.87 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt -114.68 148.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' GLU . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.504 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 20.8 p80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 78' ' ' PRO . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.8 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.31 -35.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.8 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -64.6 -58.07 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -65.02 -55.12 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -104.18 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.68 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 69.77 43.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' ALA . 29.7 tp60 51.31 40.63 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -34.03 110.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.73 175.62 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.96 136.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.779 0.323 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 58' ' ' VAL . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG2' HG13 ' A' ' 56' ' ' VAL . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 18.6 m170 -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.541 HD11 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.841 0.353 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 HD12 ' A' ' 20' ' ' LEU . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 82' ' ' GLN . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 43.4 p-80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.688 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.586 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.508 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.773 0.32 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m170 -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 43' ' ' PRO . 54.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.848 0.356 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.4 p-80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 78' ' ' PRO . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.446 ' HG2' HD13 ' A' ' 63' ' ' ILE . 26.5 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.497 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.789 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 58' ' ' VAL . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 56' ' ' VAL . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.872 0.368 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 20' ' ' LEU . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 82' ' ' GLN . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.697 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.697 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.0 p-80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 63' ' ' ILE . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 HG23 ' A' ' 85' ' ' ILE . 15.3 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.796 0.332 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.403 HD21 HD22 ' A' ' 81' ' ' LEU . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.608 ' CG2' HG13 ' A' ' 56' ' ' VAL . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' A' ' 49' ' ' ILE . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 HD11 ' CG ' ' A' ' 43' ' ' PRO . 22.7 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 23.3 t-20 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.488 ' CE2' ' CD ' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.689 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.689 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 44.8 p-80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.488 ' CD ' ' CE2' ' A' ' 62' ' ' TYR . 19.2 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 17' ' ' THR . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' CA ' ' HB ' ' A' ' 58' ' ' VAL . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' HD21 ' A' ' 81' ' ' LEU . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' ' 43' ' ' PRO . 25.6 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' CA ' ' A' ' 18' ' ' ASP . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.687 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.687 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.4 p-80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 78' ' ' PRO . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 23.4 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.763 0.315 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.728 HD12 HG22 ' A' ' 58' ' ' VAL . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG13 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.485 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CA ' ' HB3' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.496 ' CD ' HG13 ' A' ' 22' ' ' VAL . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.2 mt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.813 0.34 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 55' ' ' THR . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 53' ' ' ASP . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 20' ' ' LEU . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.728 HG22 HD12 ' A' ' 20' ' ' LEU . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.629 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 37.1 p-80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.789 HD23 ' HE2' ' A' ' 84' ' ' LYS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.7 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.789 ' HE2' HD23 ' A' ' 81' ' ' LEU . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.425 HG23 HG23 ' A' ' 85' ' ' ILE . 14.6 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 77' ' ' PRO . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.476 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 55' ' ' THR . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 53' ' ' ASP . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.526 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.722 HG11 HD13 ' A' ' 85' ' ' ILE . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.419 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.644 HD13 ' HG2' ' A' ' 82' ' ' GLN . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.0 p-80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.644 ' HG2' HD13 ' A' ' 63' ' ' ILE . 33.2 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.722 HD13 HG11 ' A' ' 58' ' ' VAL . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.784 0.326 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' A' ' 56' ' ' VAL . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.543 HE21 HD13 ' A' ' 49' ' ' ILE . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.793 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.793 HD11 ' CG ' ' A' ' 43' ' ' PRO . 25.2 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.872 0.368 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' A' ' 22' ' ' VAL . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 20' ' ' LEU . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 63' ' ' ILE . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 36.8 p-80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 85' ' ' ILE . 15.9 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.75 0.31 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 41' ' ' ALA . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.675 ' CG2' HG13 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 49' ' ' ILE . 66.6 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.3 m170 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.583 HD13 ' NE2' ' A' ' 27' ' ' GLN . 40.5 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ASP . 25.0 t-20 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' HG2' ' A' ' 82' ' ' GLN . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.526 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 47.8 p-80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' HD13 ' A' ' 63' ' ' ILE . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.798 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 41' ' ' ALA . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 50' ' ' ASP . 17.1 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG23 ' HG3' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.707 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.707 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.7 HD12 ' CD ' ' A' ' 78' ' ' PRO . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HG3' HG23 ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.8 0.333 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 77' ' ' PRO . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' HA ' HG22 ' A' ' 55' ' ' THR . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 56' ' ' VAL . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' ARG . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 21' ' ' GLU . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' N ' ' HB2' ' A' ' 67' ' ' CYS . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.631 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.681 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.1 p-80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 78' ' ' PRO . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 23.7 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.756 0.313 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 56' ' ' VAL . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 55' ' ' THR . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.599 ' O ' HD21 ' A' ' 81' ' ' LEU . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.758 0.313 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.783 ' O ' HG23 ' A' ' 55' ' ' THR . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 67' ' ' CYS . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 61' ' ' ASP . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.1 p-80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 39' ' ' ARG . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 58' ' ' VAL . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 55' ' ' THR . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 20' ' ' LEU . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 46.5 m170 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.819 0.342 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 21' ' ' GLU . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 20' ' ' LEU . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' OE1' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 63' ' ' ILE . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.714 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.696 HD12 ' CD ' ' A' ' 78' ' ' PRO . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.547 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 20.2 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 55' ' ' THR . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD ' ' A' ' 43' ' ' PRO . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 m170 -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.819 0.342 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.8 p-80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 78' ' ' PRO . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.4 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LEU . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 58' ' ' VAL . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.713 ' CG2' HG13 ' A' ' 56' ' ' VAL . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' HD21 ' A' ' 81' ' ' LEU . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.531 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 43' ' ' PRO . 50.8 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.841 0.353 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' ASP . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.713 HG13 ' CG2' ' A' ' 22' ' ' VAL . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.428 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG22 HD12 ' A' ' 20' ' ' LEU . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 48.3 p-80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 17' ' ' THR . 12.9 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' VAL . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 56' ' ' VAL . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.722 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.482 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' ASP . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 32.0 m170 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.464 HD11 ' CG ' ' A' ' 43' ' ' PRO . 91.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.777 0.322 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 53' ' ' ASP . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 58' ' ' VAL . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HD12 ' A' ' 20' ' ' LEU . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.701 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 38.4 p-80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.701 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.514 ' HG2' HD13 ' A' ' 63' ' ' ILE . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE2' HG22 ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 55' ' ' THR . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.554 ' CG2' HG13 ' A' ' 56' ' ' VAL . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.781 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 38.3 m170 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 43' ' ' PRO . 44.9 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.816 0.341 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 21' ' ' GLU . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.781 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.4 p-80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 17.8 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.785 0.326 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD12 ' CG2' ' A' ' 58' ' ' VAL . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 56' ' ' VAL . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.444 HD11 ' CG ' ' A' ' 43' ' ' PRO . 96.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 22' ' ' VAL . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.57 ' CG2' HD12 ' A' ' 20' ' ' LEU . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.1 p-80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.0 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.785 0.326 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 58' ' ' VAL . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 55' ' ' THR . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.723 ' CG2' HG13 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' HD11 ' A' ' 81' ' ' LEU . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 m170 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.823 0.344 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 55' ' ' THR . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ASP . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.723 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HD12 ' A' ' 20' ' ' LEU . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.401 ' O ' HG12 ' A' ' 63' ' ' ILE . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.459 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 63' ' ' ILE . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.698 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 42.1 p-80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.0 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.815 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 41' ' ' ALA . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 55' ' ' THR . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 24.2 m170 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.898 0.38 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' GLU . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.691 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.6 p-80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 78' ' ' PRO . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.6 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -69.98 -44.76 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t 63.01 41.72 8.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.804 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.01 87.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 t -60.12 -57.58 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.808 0.337 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -169.11 144.97 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.47 40.97 1.98 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -49.39 -55.24 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 9' ' ' THR . 11.8 t -107.18 119.24 38.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.7 88.33 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -172.58 133.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -74.48 167.98 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -119.14 93.59 4.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.01 176.06 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.3 pt? -156.74 132.57 9.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -114.97 170.33 8.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -124.21 -16.01 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -90.59 46.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.17 115.47 16.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 58' ' ' VAL . 6.1 mt -106.04 124.9 50.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.16 112.7 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.545 ' CG2' HG13 ' A' ' 56' ' ' VAL . 54.3 t -65.84 134.78 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.14 152.58 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mmm-85 -92.1 -40.64 10.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 1.6 mp0 -64.55 -63.48 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.5 t80 -36.04 -52.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.0 mt-30 -35.89 -54.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.15 -20.28 28.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 99.25 48.5 1.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.487 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -115.83 -30.83 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.2 t -59.18 128.16 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.78 -25.09 13.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -67.38 -25.84 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 62.98 169.45 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -59.27 -10.39 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.2 p -84.64 -58.76 2.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -90.11 4.74 49.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.843 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.6 t -114.62 131.97 56.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -67.73 -33.6 75.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -74.45 138.25 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.03 141.49 47.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 18.6 m170 -110.09 100.59 44.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.596 0.712 . . . . 0.0 110.839 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.76 108.01 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.97 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.61 -40.03 66.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 58.76 49.91 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -124.07 -38.4 2.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.9 mtm -89.18 40.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.541 HD11 ' CG ' ' A' ' 43' ' ' PRO . 84.7 mt -109.45 131.15 61.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -97.39 123.6 41.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.4 p -75.82 5.46 6.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -95.88 -39.46 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -122.11 -32.0 3.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.825 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 25.7 t30 73.48 42.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.5 p -128.99 146.2 51.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.1 m -112.14 147.56 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.5 m -68.26 153.5 43.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 HD12 ' A' ' 20' ' ' LEU . 95.8 t -118.28 127.72 75.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.172 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.73 108.72 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 tpp -60.57 -54.25 47.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' OD1' ' NH1' ' A' ' 69' ' ' ARG . 19.9 m-20 -47.42 -57.31 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -47.29 -50.95 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' HG2' ' A' ' 82' ' ' GLN . 18.9 mm -46.43 -43.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.89 -21.07 7.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -123.01 108.76 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.25 102.61 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -132.79 28.41 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' NH1' ' OD1' ' A' ' 61' ' ' ASP . 8.5 mtt85 -60.04 166.49 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -77.71 108.03 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' CYS . 2.0 mptp? 55.86 45.75 23.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' LYS . 53.8 t -35.51 118.62 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -123.26 44.54 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -127.2 159.04 35.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -71.3 144.94 49.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 10.0 m170 -113.83 103.57 55.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 54.4 Cg_endo -69.74 160.17 50.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.76 -179.84 3.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.2 -66.07 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 43.4 p-80 -39.42 -52.25 2.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.688 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.2 mt -63.06 -58.69 6.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.586 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.9 mt-30 -34.45 -38.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -72.99 -55.9 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.508 ' CE ' HD23 ' A' ' 81' ' ' LEU . 21.5 mtmt -36.83 -42.18 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.581 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.3 mp -74.07 -50.96 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -47.53 -55.08 9.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.54 -46.06 9.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.83 -54.71 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 85' ' ' ILE . 2.6 mp0 -58.61 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' GLN . 6.7 t-80 -75.68 105.47 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' HIS . 64.9 mt-30 -37.86 127.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -160.62 175.83 12.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -88.62 154.67 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -102.56 153.51 20.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.86 173.14 10.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 176.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.89 154.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t 50.07 42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -86.23 138.15 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.32 -88.74 1.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -164.86 122.58 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.837 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 t -110.77 139.65 45.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.46 -111.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.6 p -100.21 156.96 16.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -98.86 129.43 45.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 92.08 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.1 p -45.61 -45.58 13.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -140.44 177.87 7.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 78.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.01 150.95 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.6 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -156.74 161.22 39.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.9 154.91 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -109.2 -25.28 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.1 47.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -138.8 150.73 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -138.78 125.54 20.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.64 123.23 21.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.32 129.52 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.77 147.63 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -91.2 -41.12 11.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.478 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 30.4 mt-10 -61.11 -55.65 30.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 3.4 t80 -43.3 -44.26 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -46.88 -53.31 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -89.56 24.6 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.21 45.66 57.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -109.43 -42.0 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.923 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.4 t -52.92 128.06 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.0 -23.4 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -68.48 -24.71 64.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.52 168.96 0.45 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.35 -8.62 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.4 p -83.68 -50.83 7.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -101.46 6.77 42.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.7 t -112.52 132.98 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 2.0 ptp180 -66.07 -33.04 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -78.8 142.89 36.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.94 139.96 38.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 25.2 m170 -107.09 100.61 33.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.605 0.717 . . . . 0.0 110.823 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.76 136.02 31.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.62 -41.93 9.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.57 171.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.9 m -97.06 -48.37 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.7 p -87.81 49.09 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 ttt -120.87 -36.52 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 43' ' ' PRO . 54.8 mt -81.24 143.79 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -113.23 123.52 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.0 p -76.63 7.9 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 t -97.15 -40.86 8.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -130.89 -31.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.1 t30 74.22 44.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.7 p -135.41 145.45 47.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.9 m -111.62 149.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 153.52 33.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.8 t -113.47 126.58 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.7 t -69.06 98.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 tpt -48.44 -53.8 16.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.53 -60.68 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -41.1 -48.53 3.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 23.1 mm -49.22 -45.2 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -60.81 -25.04 66.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.35 -15.13 15.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.1 ptp85 -128.82 103.37 7.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.17 102.74 11.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -130.86 28.22 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -58.84 145.64 40.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -58.43 95.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? 67.2 51.27 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -45.51 127.55 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -127.36 32.16 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.55 159.57 16.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -75.05 142.78 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 16.4 m170 -113.32 98.68 47.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.5 Cg_endo -69.8 169.38 19.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.23 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.4 p-80 -41.73 -50.77 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 78' ' ' PRO . 20.1 mt -64.74 -56.71 11.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.446 ' HG2' HD13 ' A' ' 63' ' ' ILE . 26.5 mt-30 -35.9 -37.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.99 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 9.4 mptt -43.1 -44.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -68.02 -53.17 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.497 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.1 mttt -47.11 -41.88 18.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.08 -52.48 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.51 -41.15 53.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.53 -56.02 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' GLN . 13.7 m80 -95.37 106.68 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 90' ' ' HIS . 47.9 mm-40 -35.51 121.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.89 128.15 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -99.78 42.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -123.64 140.22 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.88 96.93 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.66 151.02 47.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.3 155.05 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -50.66 -45.24 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -173.26 138.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 93.64 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -118.89 139.59 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 t -101.14 165.34 11.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 -107.54 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.427 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.1 t -94.09 105.15 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -149.88 140.6 22.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.31 40.77 10.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -106.6 147.49 29.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -151.99 125.65 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -146.81 107.89 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.58 125.18 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' N ' ' A' ' 16' ' ' ARG . 7.3 tt -135.78 134.64 39.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -41.17 106.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 t -75.73 -26.14 57.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -95.59 38.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' CG ' ' HB3' ' A' ' 16' ' ' ARG . 15.0 mmtp -132.7 120.31 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 HD12 HG22 ' A' ' 58' ' ' VAL . 8.6 mt -105.67 124.85 50.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.962 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.91 113.84 10.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 56' ' ' VAL . 35.6 t -67.12 130.55 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.27 152.9 39.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -36.74 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.479 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 7.0 mm-40 -68.81 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.8 t80 -34.4 -43.38 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -49.32 -49.74 42.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' GLU . 15.9 ptm180 -92.57 16.94 10.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 51.95 54.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.82 -35.37 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.3 t -51.55 131.25 29.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.87 -29.37 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NE ' ' O ' ' A' ' 37' ' ' ASP . 11.5 mtp180 -61.36 -29.64 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.89 -178.46 15.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.535 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -76.12 3.22 10.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.5 p -106.89 -37.48 6.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' NE ' ' A' ' 33' ' ' ARG . 8.5 t0 -102.49 -13.93 17.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.6 t -99.14 134.9 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -73.23 -37.06 66.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -62.14 144.51 55.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.31 123.78 25.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 33.9 m170 -99.81 100.54 11.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.597 0.713 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.69 101.83 0.95 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.33 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.7 -41.75 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' SER . 15.7 t70 -112.95 176.93 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' THR . 60.2 p 36.05 54.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' SER . 76.5 p -35.07 102.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 mtp -133.99 72.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.0 mt -113.38 150.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.4 121.63 42.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.7 p -77.24 4.97 9.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.0 p -96.21 -42.61 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -123.93 -30.61 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 t30 73.19 40.0 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.4 p -130.4 146.25 51.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.9 m -112.27 140.7 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.1 m -70.89 145.72 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD12 ' A' ' 20' ' ' LEU . 73.6 t -109.19 123.14 64.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -62.16 110.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.68 -55.11 38.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.5 m-20 -47.89 -62.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ASP . 20.0 t80 -35.85 -51.08 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.527 HD13 ' HG2' ' A' ' 82' ' ' GLN . 48.9 mm -51.19 -42.34 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 61' ' ' ASP . 8.4 mmmm -60.86 -26.39 67.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.04 -16.62 15.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -129.02 101.69 6.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.66 97.11 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 tpt -128.18 31.6 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -58.82 164.85 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.43 98.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 55.19 53.35 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.5 t -44.41 131.19 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.04 24.73 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -98.47 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -70.09 145.5 51.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -120.22 104.89 42.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.6 Cg_endo -69.73 164.35 34.84 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.697 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.71 -179.64 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -62.33 -68.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.697 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.0 p-80 -36.0 -51.77 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -66.14 -54.04 30.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.527 ' HG2' HD13 ' A' ' 63' ' ' ILE . 19.9 mt-30 -36.64 -38.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.82 -49.6 37.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -39.39 -35.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -81.76 -49.56 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 21.0 mtmt -41.91 -44.83 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.35 -55.14 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.58 -53.51 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.82 -61.56 2.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -55.44 144.23 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -66.13 97.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -164.71 112.6 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -85.0 102.01 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -90.78 157.48 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.08 86.64 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -128.04 172.44 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 97' ' ' VAL . 34.3 m -128.17 124.45 62.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -133.33 144.99 50.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -123.3 156.73 34.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -93.14 -60.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.88 0.371 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t 48.68 43.04 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.22 165.72 0.32 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -103.08 131.87 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.983 0.42 . . . . 0.0 110.803 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.9 p -117.0 144.26 44.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.45 89.75 3.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 p -120.92 -46.12 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -102.84 42.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -126.53 91.55 3.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 mt -123.24 54.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -148.92 139.39 22.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' NH1' ' HG2' ' A' ' 19' ' ' LYS . 1.1 ppt_? -165.92 144.33 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.756 HG23 HG23 ' A' ' 85' ' ' ILE . 15.3 t -124.64 35.97 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.39 50.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' HG2' ' NH1' ' A' ' 16' ' ' ARG . 8.4 mmmm -137.92 130.67 29.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.403 HD21 HD22 ' A' ' 81' ' ' LEU . 6.8 mt -119.54 136.19 54.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.48 122.24 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.608 ' CG2' HG13 ' A' ' 56' ' ' VAL . 46.1 t -72.58 136.88 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.0 129.95 38.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -75.91 -34.7 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 10.5 mt-10 -66.2 -61.45 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' PRO . 7.7 t80 -34.57 -47.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.428 ' NE2' HD13 ' A' ' 49' ' ' ILE . 40.6 mt-30 -48.31 -53.71 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -84.24 15.85 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.66 50.24 54.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -119.36 -30.85 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 34.5 t -52.78 142.35 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -112.8 -27.63 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' CB ' ' HB2' ' A' ' 38' ' ' CYS . 37.5 mtt85 -64.42 -17.87 64.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 53.63 177.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 24.1 tt0 -79.53 12.71 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 p -114.48 -25.52 8.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -122.82 -6.98 8.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.9 t -98.23 143.69 28.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -78.12 -37.47 46.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -67.41 134.59 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.22 127.78 33.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 m170 -99.05 102.47 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.69 161.8 44.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.72 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -143.64 177.89 8.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.947 ' HA ' HD12 ' A' ' 49' ' ' ILE . 10.0 t -87.31 42.3 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.4 m -106.14 -39.34 5.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.51 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.0 mmm -96.01 34.7 1.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.947 HD12 ' HA ' ' A' ' 46' ' ' SER . 22.7 mt -123.3 141.02 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 5.7 t0 -111.16 122.89 49.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -74.71 2.68 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -93.9 -43.68 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -124.33 -23.14 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 23.3 t-20 62.3 45.15 6.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.4 p -130.12 150.15 51.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.3 m -116.68 144.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.5 m -75.08 147.89 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.5 t -113.21 134.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.54 112.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 tpt -58.49 -51.59 69.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.64 -58.57 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.488 ' CE2' ' CD ' ' A' ' 82' ' ' GLN . 20.3 t80 -40.88 -47.71 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 20.1 mm -52.51 -42.2 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -63.15 -24.18 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.54 -16.42 16.82 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.09 106.65 9.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -111.09 96.77 6.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 31.0 tpp -119.34 22.75 11.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -52.19 127.65 22.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -50.64 93.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' CYS . 10.7 ttpt 73.8 44.9 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' LYS . 16.0 t -37.26 131.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -134.01 43.63 2.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 74' ' ' TYR . 6.7 m-85 -125.58 159.16 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -71.66 146.06 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -120.29 100.01 47.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.81 36.9 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.689 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.79 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.5 -66.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.689 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 44.8 p-80 -36.37 -44.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 15.6 mt -74.88 -60.63 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' CD ' ' CE2' ' A' ' 62' ' ' TYR . 19.2 mt-30 -34.56 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -67.8 -50.27 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -41.04 -31.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.756 HG23 HG23 ' A' ' 17' ' ' THR . 5.3 mp -83.67 -49.04 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 18.5 mtmm -55.36 -42.11 73.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.96 -54.27 37.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . . . -49.45 -48.06 47.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 89' ' ' GLN . 8.0 mm-40 -45.98 -42.73 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -50.77 -58.74 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -123.96 -70.84 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 88' ' ' ALA . . . -45.52 100.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -98.84 144.9 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -121.66 101.26 7.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.52 41.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -80.25 84.63 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.7 t -68.26 130.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -155.34 169.27 24.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -174.82 159.81 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 -150.6 10.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -124.17 83.23 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -158.47 106.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.43 74.26 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -44.63 -48.45 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -55.21 151.12 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.91 166.96 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.0 m -151.51 119.75 6.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -134.71 137.67 43.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 34.25 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.36 124.44 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.4 mt -52.37 123.12 10.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -130.73 40.14 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.6 t -82.87 35.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' CA ' ' HB ' ' A' ' 58' ' ' VAL . 16.7 p-10 -110.4 53.96 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 133.18 26.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 8.5 mt -122.37 124.18 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.44 119.69 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.68 134.78 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.86 148.32 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -89.83 -43.13 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.494 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.4 mt-10 -59.35 -56.94 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -42.54 -42.29 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -48.37 -50.63 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -91.55 19.53 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.09 50.52 58.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -117.54 -36.57 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.6 t -53.67 116.7 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.28 -24.19 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -67.35 -20.31 65.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.74 169.45 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -9.53 3.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.979 0.419 . . . . 0.0 110.935 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 p -84.8 -64.37 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.5 -3.52 53.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.2 t -107.1 138.94 42.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' HD21 ' A' ' 81' ' ' LEU . 3.1 mpt_? -75.0 -42.97 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -63.12 137.01 58.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -71.16 135.25 47.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 20.9 m170 -103.16 100.65 18.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HG2' HD11 ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.77 87.24 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.94 -44.74 6.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -40.37 -53.56 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.0 p -143.89 175.53 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.7 p -91.82 46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.2 mtp -86.24 82.06 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' ' 43' ' ' PRO . 25.6 mt -136.62 151.73 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER -112.23 118.61 35.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.7 p -74.41 1.9 10.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -94.44 -42.77 8.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -125.18 -23.4 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' ASP . 35.1 t30 63.52 38.95 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 p -127.49 143.91 51.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.34 136.74 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 p -64.95 156.93 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' CA ' ' A' ' 18' ' ' ASP . 98.8 t -114.02 133.94 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.6 t -75.69 101.35 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 tpt -48.15 -57.52 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 11.8 t0 -48.37 -59.22 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -39.28 -50.16 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.1 mm -47.58 -44.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -62.08 -25.81 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.7 -17.4 12.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 17.1 ptt180 -129.21 106.65 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -100.49 96.91 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 70' ' ' GLU . 15.9 mmt -92.94 -17.31 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -42.51 94.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -39.86 148.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' GLU . 80.0 mttt 34.89 38.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -49.36 109.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 22.71 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -93.59 152.66 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 57.8 t80 -75.8 136.84 40.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 9.0 m170 -107.66 99.72 30.88 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.578 0.704 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 54.2 Cg_endo -69.72 163.48 38.08 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.361 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.687 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.72 -179.93 3.24 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.06 -68.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.092 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.687 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.4 p-80 -35.09 -51.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 78' ' ' PRO . 13.0 mt -64.85 -56.95 10.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 81' ' ' LEU . 23.4 mt-30 -36.41 -38.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.78 77.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 81' ' ' LEU . 15.8 mtpt -44.51 -45.31 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.682 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.4 mp -75.36 -45.94 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -50.84 -45.83 59.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.02 -52.68 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.083 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.63 -42.52 45.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.23 -41.43 81.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.402 ' CE1' HE22 ' A' ' 91' ' ' GLN . 16.3 t-160 -56.25 -45.55 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.402 HE22 ' CE1' ' A' ' 90' ' ' HIS . 1.3 mp0 -87.4 46.72 1.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.04 29.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -99.16 136.16 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -99.05 154.45 18.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.4 45.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.9 173.79 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.04 -55.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 p -148.74 118.76 7.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.04 167.8 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.25 98.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -118.12 131.41 56.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 m -92.52 174.81 7.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.76 -121.51 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.9 m -91.93 158.37 16.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.413 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -155.16 153.51 30.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.12 139.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 m -148.61 119.39 7.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -93.06 144.31 25.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -80.94 42.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.4 mt -135.65 105.28 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -151.9 175.38 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 15' ' ' LEU . 6.2 mpt_? -146.4 118.91 8.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -108.26 -19.51 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 45.09 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -131.26 118.37 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.728 HD12 HG22 ' A' ' 58' ' ' VAL . 6.0 mt -101.36 134.14 44.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.36 110.62 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG13 ' CD ' ' A' ' 43' ' ' PRO . 39.6 t -67.77 131.45 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -64.14 146.28 54.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -90.99 -30.8 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.485 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.7 mp0 -71.57 -58.28 3.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -44.17 -42.78 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -49.74 -50.2 45.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -90.4 15.21 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.66 55.23 31.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -124.77 -35.95 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 4.8 t -53.91 124.08 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.44 -25.07 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CA ' ' HB3' ' A' ' 37' ' ' ASP . 84.5 mtt180 -65.33 -25.93 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 64.02 166.12 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -54.37 -15.82 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.96 0.41 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.8 p -86.2 -65.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' CA ' ' A' ' 33' ' ' ARG . 7.9 t0 -73.7 -0.14 14.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.7 t -115.25 137.37 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -79.02 -30.27 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -72.09 135.66 46.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 137.63 57.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 22.5 m170 -110.24 100.05 42.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.84 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' CD ' HG13 ' A' ' 22' ' ' VAL . 54.3 Cg_endo -69.65 91.43 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.698 2.265 . . . . 0.0 112.409 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.53 -42.0 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -119.21 42.3 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.1 p -156.2 133.59 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.0 p -110.31 38.81 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.44 40.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.2 mt -88.83 131.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -85.25 113.19 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.1 p -70.18 0.05 6.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -90.06 -45.67 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 55' ' ' THR . 43.8 m-20 -132.65 23.35 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.459 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 39.82 38.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 53' ' ' ASP . 2.7 p -115.65 162.93 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG23 ' HB2' ' A' ' 20' ' ' LEU . 16.9 m -125.25 147.72 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -75.99 148.76 37.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.728 HG22 HD12 ' A' ' 20' ' ' LEU . 98.3 t -119.02 132.28 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.27 110.27 4.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -59.44 -50.79 72.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' TYR . 6.0 m-20 -50.0 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ASP . 23.4 t80 -37.77 -53.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.7 mm -46.43 -44.05 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -63.82 -26.52 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.88 -25.05 6.55 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -121.27 107.71 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.44 104.08 13.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 tpt -131.3 25.65 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -58.75 130.66 47.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -47.21 111.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp 54.48 47.02 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 12.7 t -37.96 127.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -134.02 40.27 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -120.72 157.18 30.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -70.35 142.22 52.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -112.97 108.32 53.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.629 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.8 Cg_endo -69.78 161.66 45.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.4 Cg_endo -69.75 -179.42 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.72 -63.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 37.1 p-80 -41.36 -48.19 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.789 HD23 ' HE2' ' A' ' 84' ' ' LYS . 14.0 mt -68.14 -57.95 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.7 mt-30 -34.52 -43.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.11 -56.37 23.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.789 ' HE2' HD23 ' A' ' 81' ' ' LEU . 24.0 mtmt -34.94 -51.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.6 mp -67.88 -48.81 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -40.0 -45.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.58 -53.33 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.84 -46.14 15.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -72.85 -44.6 61.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -70.83 105.77 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.69 120.35 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.72 122.98 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -89.45 79.35 6.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -138.35 173.28 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.69 122.84 28.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -166.93 145.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 84.5 t -78.02 132.93 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.83 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 t -171.51 157.48 4.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 p -149.62 166.84 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.85 154.84 25.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -132.93 172.06 13.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.945 0.402 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -165.44 177.54 7.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.18 169.92 42.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.3 t -141.86 134.28 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 0.0 110.881 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -141.88 144.7 33.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.79 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -81.7 44.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -139.61 123.05 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -97.72 100.02 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.21 119.35 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -110.92 -55.02 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -71.34 108.44 4.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.764 HG21 ' HB3' ' A' ' 88' ' ' ALA . 14.6 t -89.3 38.01 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -96.49 49.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -142.08 148.98 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 77' ' ' PRO . 9.9 mt -135.29 125.22 25.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.956 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.74 114.19 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.4 t -65.61 130.83 31.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.02 150.03 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -92.32 -38.88 11.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.476 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.6 mp0 -64.69 -55.66 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.5 t80 -41.66 -47.29 3.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -46.64 -54.29 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 7.3 ptm180 -88.64 25.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.69 47.04 38.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -110.72 -35.58 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 1.8 t -56.9 124.68 19.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -100.55 -20.74 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 53.7 mtt180 -68.28 -29.25 67.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 68.84 174.36 9.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -66.66 -9.75 39.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -91.86 -47.17 7.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 33' ' ' ARG . 7.2 t0 -94.21 -0.11 55.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 5.2 t -118.67 128.57 54.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -67.98 -37.46 81.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -59.15 140.95 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -73.85 127.24 32.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 16.8 m170 -102.65 100.49 16.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.76 105.03 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.364 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -105.12 -36.2 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 23.5 t70 -66.36 177.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' THR . 28.1 t -34.33 146.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' SER . 23.9 m -33.95 108.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mmm -135.0 42.67 2.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mt -115.35 145.88 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.49 115.41 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.4 p -74.99 6.16 4.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 t -96.43 -52.03 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 55' ' ' THR . 52.2 m-20 -134.79 22.96 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 64.5 t30 36.19 49.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 53' ' ' ASP . 16.5 p -131.17 143.97 51.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.5 m -107.04 143.68 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -80.47 122.41 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.722 HG11 HD13 ' A' ' 85' ' ' ILE . 93.0 t -82.75 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.98 105.61 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 tpp -56.36 -53.01 62.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -46.43 -58.96 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.419 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 19.5 t80 -46.3 -49.99 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.644 HD13 ' HG2' ' A' ' 82' ' ' GLN . 41.5 mm -46.94 -45.6 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -61.02 -25.82 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.63 -18.15 10.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -129.13 105.32 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.354 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.419 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -111.16 97.96 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.3 mmt -126.5 29.76 5.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -59.79 156.41 14.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.23 103.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 56.53 51.24 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.6 t -39.9 127.96 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -129.66 41.45 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -124.03 158.66 31.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.79 153.16 40.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.2 m170 -121.08 105.32 40.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.75 164.4 34.66 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.2 Cg_endo -69.83 -179.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -61.43 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.0 p-80 -42.81 -45.56 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.5 mt -70.85 -53.36 15.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.644 ' HG2' HD13 ' A' ' 63' ' ' ILE . 33.2 mt-30 -40.89 -40.68 1.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.43 83.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 81' ' ' LEU . 32.9 mttt -59.42 -48.75 80.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.722 HD13 HG11 ' A' ' 58' ' ' VAL . 7.8 mt -57.79 -48.96 82.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -50.33 -44.95 54.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.04 -47.71 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.764 ' HB3' HG21 ' A' ' 17' ' ' THR . . . -58.91 -50.37 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.418 ' NE2' HG22 ' A' ' 17' ' ' THR . 10.3 mm-40 -53.19 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 91' ' ' GLN . 86.6 t60 -59.16 167.06 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 90' ' ' HIS . 1.2 tm0? -91.71 104.06 16.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.74 148.31 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -86.0 42.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -82.79 -53.63 5.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 64.06 47.71 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.16 157.23 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 91.9 t -130.06 86.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.057 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -126.71 163.62 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -110.31 159.32 17.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.73 104.34 3.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -98.98 102.96 14.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.7 m -131.96 88.96 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.73 -141.76 5.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 t -52.34 150.68 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 110.888 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.7 m -95.81 108.16 20.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.47 136.61 14.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -122.89 -16.48 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.06 99.46 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -111.58 42.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -165.42 133.68 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.68 147.68 45.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.2 mtt85 -133.62 167.08 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 t -110.31 -19.51 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.146 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -96.34 45.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -141.05 125.2 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 56' ' ' VAL . 4.9 mt -116.66 134.33 54.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.06 117.61 17.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.668 ' CG2' HG13 ' A' ' 56' ' ' VAL . 42.0 t -66.93 136.33 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.16 141.69 54.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 mtm105 -89.95 -26.95 20.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.472 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 27.9 mt-10 -75.93 -53.35 8.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.9 t80 -45.14 -49.5 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.543 HE21 HD13 ' A' ' 49' ' ' ILE . 65.2 mt-30 -49.59 -51.84 34.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.3 ptm85 -82.64 8.92 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 51.23 58.61 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.03 -25.51 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.378 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.8 t -62.61 127.38 31.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -101.22 -21.73 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 34' ' ' GLY . 88.6 mtt-85 -72.27 -8.47 55.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 48.34 -178.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.7 tt0 -81.9 11.25 5.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.9 p -108.17 -27.27 10.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -118.88 -16.64 9.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 22.8 t -85.69 140.07 30.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -88.97 19.7 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -119.75 134.85 55.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.96 120.71 13.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 35.7 m170 -101.38 100.56 14.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.562 0.696 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.793 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.79 -170.77 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.632 2.221 . . . . 0.0 112.322 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.42 13.79 26.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.8 t70 73.42 35.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -99.11 -176.95 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.9 p -75.96 48.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.6 ttt -116.41 -27.39 6.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.793 HD11 ' CG ' ' A' ' 43' ' ' PRO . 25.2 mt -78.76 137.24 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -104.45 125.58 50.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.6 p -77.91 5.7 9.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 m -98.21 -38.88 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.25 -30.39 2.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.7 t30 70.85 43.86 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.7 p -125.17 155.12 40.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.668 HG13 ' CG2' ' A' ' 22' ' ' VAL . 11.8 m -121.58 154.92 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.88 147.45 26.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 20' ' ' LEU . 53.2 t -115.25 138.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -65.88 152.24 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.8 tpt -95.99 -39.11 9.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.67 -58.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 57.6 t80 -43.93 -36.34 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' A' ' 63' ' ' ILE . 2.6 mm -49.55 -53.34 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -61.27 -25.95 67.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.19 -10.95 9.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -128.46 106.82 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 9.9 t -113.12 101.39 9.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.0 tpt -129.76 24.3 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 15.1 mtp-105 -58.5 177.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -81.35 112.42 18.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm 44.08 53.53 6.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.2 t -47.17 125.07 7.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.32 40.47 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.29 156.49 27.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -74.81 143.08 44.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 16.8 m170 -113.11 106.23 55.03 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 0.0 110.84 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.92 29.37 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.709 2.273 . . . . 0.0 112.288 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.762 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.75 179.99 3.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.45 -61.21 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 36.8 p-80 -45.01 -57.69 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.762 HD12 ' HD2' ' A' ' 78' ' ' PRO . 16.9 mt -55.73 -52.06 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.597 ' HA ' HD13 ' A' ' 85' ' ' ILE . 15.9 mt-30 -42.09 -41.99 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.32 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.11 -30.68 2.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.628 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.2 mp -77.27 -50.63 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -39.86 67.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -52.31 -37.96 57.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.13 -52.24 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -42.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -61.26 -57.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -156.86 141.91 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.81 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -119.51 143.24 47.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.79 127.98 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -144.45 138.87 27.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.78 -56.18 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.6 m -100.81 -18.27 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -47.38 -25.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -56.23 156.23 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.23 92.1 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -160.69 175.61 12.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -160.89 174.26 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.43 165.75 28.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -128.95 110.64 12.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -124.96 123.81 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.74 -56.52 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m 38.47 46.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -93.46 93.93 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -125.43 175.24 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD23 ' H ' ' A' ' 14' ' ' LEU . 1.5 pt? -112.12 162.12 15.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -38.97 141.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -142.63 135.8 28.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.63 HG21 ' NE2' ' A' ' 89' ' ' GLN . 5.5 t -102.11 -22.75 14.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.94 43.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -132.1 137.06 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 41' ' ' ALA . 7.1 mt -126.04 125.13 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.53 126.24 26.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.675 ' CG2' HG13 ' A' ' 56' ' ' VAL . 10.7 t -82.07 133.0 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.71 113.22 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -65.07 -35.04 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -62.35 -54.04 46.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' GLY . 8.0 t80 -42.11 -54.27 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.583 ' NE2' HD13 ' A' ' 49' ' ' ILE . 66.6 mt-30 -40.97 -52.94 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -86.47 -8.1 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 78.67 51.3 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -117.72 -16.79 10.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 51.3 t -65.94 148.26 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.71 -21.07 8.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -75.26 -15.61 60.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 52.32 179.77 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.447 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 22.0 tt0 -81.73 18.95 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.5 p -119.15 -26.39 5.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -124.5 -9.71 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 7.3 t -91.78 137.3 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -72.97 -28.75 62.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 37.7 m-85 -68.94 136.85 53.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -81.84 94.98 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.3 m170 -64.68 111.14 5.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.62 0.724 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.8 Cg_endo -69.75 -179.25 2.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.284 . . . . 0.0 112.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.18 10.19 41.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.059 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.26 44.35 22.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.4 p -113.52 40.57 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 47' ' ' THR . 20.3 m 63.21 45.67 4.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 mtp -125.79 43.4 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.583 HD13 ' NE2' ' A' ' 27' ' ' GLN . 40.5 mt -134.74 146.36 30.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 m-20 -108.34 119.36 39.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.5 p -74.35 4.53 5.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -91.89 -47.15 7.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -124.91 -13.89 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' ASP . 25.0 t-20 60.26 51.53 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.6 p -134.41 150.11 50.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 22' ' ' VAL . 19.1 m -111.76 148.03 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 m -68.73 156.05 38.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.1 t -126.54 127.93 70.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.7 t -66.93 115.26 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 tpt -62.42 -52.89 61.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -52.13 -62.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASP . 18.9 t80 -35.81 -49.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.985 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' HG2' ' A' ' 82' ' ' GLN . 29.7 mm -50.78 -43.79 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.8 mmmm -60.69 -26.7 67.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.79 -21.17 8.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -127.05 107.26 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 t -106.3 99.91 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.4 tpt -129.86 26.92 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -58.65 173.16 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -79.78 112.04 16.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 72' ' ' CYS . 40.6 mmtm 50.44 47.28 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' LYS . 7.2 t -36.62 120.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.11 38.35 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -118.08 154.56 31.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.526 ' CE2' ' HB1' ' A' ' 41' ' ' ALA . 55.3 t80 -70.53 140.48 51.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -108.95 101.54 44.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.834 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 165.55 30.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.708 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.2 Cg_endo -69.76 -179.89 3.23 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.722 2.281 . . . . 0.0 112.312 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -63.96 -68.6 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 47.8 p-80 -35.15 -49.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.5 mt -69.75 -55.06 10.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' HD13 ' A' ' 63' ' ' ILE . 16.3 mt-30 -36.09 -33.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -76.64 -45.03 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' LEU . 35.7 mttt -45.77 -38.61 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -72.64 -52.26 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' CG ' ' CG2' ' A' ' 63' ' ' ILE . 16.7 mttt -46.56 -54.7 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.43 56.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -41.28 -47.58 3.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.63 ' NE2' HG21 ' A' ' 17' ' ' THR . 6.9 mm-40 -53.92 -60.48 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -81.95 117.34 22.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -57.09 110.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -172.92 111.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -97.19 129.99 44.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.66 -56.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.07 148.63 52.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.061 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -134.31 91.84 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.1 t -116.81 -45.48 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.105 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -143.27 160.61 40.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -113.39 -60.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.34 -176.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -173.98 134.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -168.25 138.91 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.8 136.09 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.1 p -98.48 107.41 19.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -72.85 129.75 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 13' ' ' LYS . . . -103.91 133.35 49.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -80.26 -43.38 21.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -92.04 45.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 51.3 tttp -95.7 38.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.835 ' C ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.37 154.87 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 15' ' ' LEU . 2.7 pp -174.72 161.35 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -95.33 169.65 9.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -113.55 -31.77 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.45 33.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.7 137.93 54.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 41' ' ' ALA . 8.5 mt -123.29 135.39 54.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -80.08 112.0 16.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.9 t -64.75 121.3 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -53.95 150.43 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.8 mmm-85 -92.15 -38.59 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 5.5 mp0 -65.29 -60.79 2.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -41.28 -51.12 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' PHE . 32.7 mt-30 -37.62 -49.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -88.47 -21.86 23.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 98.24 53.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -125.94 -29.32 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 5.2 t -56.63 124.8 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.18 -15.29 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -76.8 -17.8 58.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.0 170.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.532 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.09 -1.57 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.392 . . . . 0.0 110.855 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.1 p -92.82 -36.16 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -115.11 2.41 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 16.7 t -104.02 136.45 43.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -69.28 -24.29 63.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -89.64 147.41 23.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -80.89 141.51 34.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.1 m170 -107.96 100.55 36.59 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.1 Cg_endo -69.71 93.13 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.664 2.243 . . . . 0.0 112.405 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.19 94.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -61.54 154.2 25.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.79 169.35 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 t 38.76 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.156 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.6 tpt -113.78 33.5 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 50' ' ' ASP . 17.1 mt -136.03 152.34 30.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 25.6 t0 -111.95 114.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.8 p -74.1 1.37 11.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.3 t -96.96 -40.56 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.49 -27.35 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' ASP . 24.3 t30 69.23 38.43 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 38.3 p -130.93 144.2 51.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -111.89 147.09 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 154.24 42.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.9 t -115.49 118.07 57.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 t -54.68 118.95 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -69.25 -53.03 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 64' ' ' LYS . 1.1 m-20 -50.35 -60.75 2.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CZ ' ' NE2' ' A' ' 82' ' ' GLN . 29.8 t80 -35.71 -53.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG23 ' HG3' ' A' ' 86' ' ' LYS . 18.8 mm -49.77 -42.0 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 61' ' ' ASP . 2.7 mmmp? -60.87 -24.28 65.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.0 -20.64 11.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -129.17 105.56 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -108.06 97.56 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 62.8 mmm -114.75 21.3 14.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' NH1' ' CZ ' ' A' ' 74' ' ' TYR . 34.9 mtt180 -54.58 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 69' ' ' ARG . 16.1 mt-10 -33.61 109.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 61.63 54.94 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 34.5 t -61.02 130.51 46.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.72 17.65 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.518 ' CZ ' ' NH1' ' A' ' 69' ' ' ARG . 14.4 m-85 -93.13 156.11 17.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 64.4 t80 -71.97 144.48 48.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -117.59 107.94 43.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.707 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.9 Cg_endo -69.77 -179.5 2.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.45 -61.89 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.707 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -45.49 -57.8 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.7 HD12 ' CD ' ' A' ' 78' ' ' PRO . 22.0 mt -57.22 -54.05 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.472 ' NE2' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 mt-30 -36.76 -40.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.98 -49.02 61.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -40.58 -40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -80.61 -50.72 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HG3' HG23 ' A' ' 63' ' ' ILE . 22.8 mtmt -42.62 -42.97 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.57 -59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.39 -46.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.31 -46.58 79.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -43.98 160.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -110.67 134.61 52.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -174.51 149.12 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -83.48 46.89 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -111.58 103.02 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.2 44.36 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.91 -33.74 62.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 98' ' ' ALA . 28.0 m -121.19 -42.43 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.457 ' N ' HG23 ' A' ' 97' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -174.14 158.99 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -154.19 175.52 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.07 -174.75 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -159.41 160.64 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -132.3 159.85 37.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.73 72.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t -143.94 110.72 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.959 0.409 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.8 m -139.18 147.74 42.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.37 123.07 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.5 m -106.14 111.52 24.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 65.3 mt-30 -119.32 42.42 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' GLN . 33.9 mttp -34.22 129.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.3 mt 53.69 40.71 31.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -42.03 139.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -117.97 178.08 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.9 t -110.43 -19.04 13.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -92.09 34.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -123.88 144.54 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 77' ' ' PRO . 11.5 mt -127.58 130.43 49.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' HA ' HG22 ' A' ' 55' ' ' THR . 26.6 mt-10 -75.28 110.58 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 56' ' ' VAL . 55.2 t -64.76 130.63 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.25 149.73 36.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -90.95 -34.45 15.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 26' ' ' PHE . 34.5 mp0 -70.02 -63.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' A' ' 25' ' ' GLU . 2.0 t80 -34.36 -47.5 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -38.43 -54.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -85.9 -22.04 27.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.15 53.65 1.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -122.95 -25.75 4.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.3 t -54.53 141.45 31.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.6 -31.52 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 91.1 mtt180 -61.71 -25.64 67.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 60.32 -179.55 2.54 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.439 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 39.1 tt0 -80.15 19.29 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.8 p -119.04 -32.92 4.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 33' ' ' ARG . 16.9 t0 -117.89 -7.57 10.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.4 t -94.39 132.21 39.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -67.53 -34.72 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -73.28 139.56 46.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -75.45 135.17 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 27.7 m170 -106.22 100.47 29.32 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.721 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.7 Cg_endo -69.75 115.21 3.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.13 -44.58 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' SER . 13.0 t0 -56.29 175.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' ASP . 21.5 m -35.7 152.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.6 p -41.89 105.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ttt -131.19 40.01 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.8 mt -109.47 137.19 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 29.5 m-20 -82.07 109.96 16.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.6 p -72.98 3.34 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.0 t -94.41 -45.91 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -127.81 11.25 6.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' ASP . 18.9 t30 48.58 46.04 21.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 21' ' ' GLU . 11.4 p -133.94 172.51 12.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 22' ' ' VAL . 31.7 m -130.61 153.37 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -76.66 156.84 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' ASP . 91.4 t -129.12 123.06 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.097 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.5 t -51.63 138.85 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 tpt -85.05 -55.62 3.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 64' ' ' LYS . 7.9 m-20 -51.67 -57.46 9.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' N ' ' HB2' ' A' ' 67' ' ' CYS . 29.9 t80 -38.58 -51.7 1.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -50.76 -39.97 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 61' ' ' ASP . 29.2 mmmt -63.85 -26.37 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.03 -17.6 12.74 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -129.47 101.46 5.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 1.4 t -113.39 98.89 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 tpp -127.39 28.4 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -55.94 166.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 99.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm 55.22 53.41 10.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.1 t -47.73 120.21 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -119.49 38.18 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -109.47 158.2 18.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.2 133.57 45.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -109.63 109.33 59.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.588 0.708 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.631 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.9 Cg_endo -69.82 163.86 36.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.324 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.681 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.1 Cg_endo -69.7 -179.85 3.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -64.57 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.681 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 40.1 p-80 -39.86 -49.57 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 78' ' ' PRO . 14.9 mt -66.03 -55.16 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 23.7 mt-30 -37.27 -42.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -59.96 -57.54 12.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 83' ' ' ALA . 17.2 mtpt -33.8 -42.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.4 mp -79.49 -50.22 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -47.87 -44.35 29.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.61 -47.26 28.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.06 71.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -46.5 -59.99 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -64.61 138.68 58.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -76.45 125.34 29.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -173.39 176.1 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.74 101.53 12.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -140.82 138.53 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.33 113.83 7.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -89.1 171.19 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.27 153.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t -171.41 134.89 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -168.89 143.91 3.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.03 94.35 1.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -148.87 126.95 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -160.38 159.3 30.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.2 124.67 3.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 81.5 p -159.75 176.17 12.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.91 0.385 . . . . 0.0 110.905 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.9 m -129.73 141.89 50.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.13 167.29 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -66.39 86.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 92.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -55.16 155.66 4.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.2 mt -102.17 79.54 1.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -76.93 146.91 37.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.2 mtt-85 -116.61 85.17 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -131.5 31.6 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -106.6 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -147.69 123.22 10.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.658 ' O ' HG22 ' A' ' 56' ' ' VAL . 2.9 mt -106.94 124.27 49.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HA ' HG22 ' A' ' 55' ' ' THR . 32.2 mt-10 -70.37 110.51 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 56' ' ' VAL . 19.6 t -64.21 130.03 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.99 139.68 58.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -89.71 -37.74 14.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 11.2 mp0 -61.13 -48.41 81.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -54.59 -41.16 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -50.51 -34.82 26.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -108.08 26.79 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.01 44.93 32.75 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -112.16 -40.01 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 12.7 t -53.08 131.25 36.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.3 -23.64 12.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 34' ' ' GLY . 6.4 mmt-85 -66.52 -18.48 65.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.54 162.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -9.62 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.938 0.399 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.7 p -85.14 -53.93 4.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -96.93 6.55 48.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 15.1 t -112.72 128.84 56.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.599 ' O ' HD21 ' A' ' 81' ' ' LEU . 12.4 ptt180 -60.63 -43.81 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.19 137.66 53.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.84 147.98 42.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 14.7 m170 -112.23 100.43 49.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 54.2 Cg_endo -69.75 79.85 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.749 2.299 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.38 -45.07 7.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.79 ' O ' HG23 ' A' ' 47' ' ' THR . 8.5 t0 -87.4 161.66 17.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ASP . 13.0 m -34.81 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 45' ' ' ASP . 50.2 p -136.46 177.04 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -113.77 141.17 47.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.0 mt -137.58 131.89 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.7 OUTLIER -87.89 112.74 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.7 p -68.88 -2.39 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.6 m -90.06 -38.42 13.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.783 ' O ' HG23 ' A' ' 55' ' ' THR . 14.5 m-20 -132.96 17.26 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER 35.64 34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 53' ' ' ASP . 22.7 p -117.02 165.95 12.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 22' ' ' VAL . 29.3 m -120.2 151.25 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -87.94 137.76 32.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.6 t -94.35 148.7 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.4 t -94.15 102.99 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.4 tpt -45.53 -58.54 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' CB ' ' HA ' ' A' ' 67' ' ' CYS . 1.2 m-20 -47.45 -60.73 2.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 27.9 t80 -42.71 -50.06 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -53.34 -37.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -68.97 -24.85 64.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.83 -20.26 11.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -128.56 103.71 7.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.809 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 61' ' ' ASP . 12.0 t -96.85 104.44 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 69' ' ' ARG . 12.3 ptm -108.06 -18.19 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.6 ttt-85 -36.14 98.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 71' ' ' LYS . 42.8 tt0 -36.56 143.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.5 mtpm? 34.86 43.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.66 112.56 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -107.21 33.72 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -105.04 158.38 16.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -77.21 139.16 39.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.506 ' CE1' ' CD1' ' A' ' 62' ' ' TYR . 6.6 m170 -111.8 101.74 52.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.577 0.703 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.5 Cg_endo -69.78 167.1 25.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.68 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.3 Cg_endo -69.81 179.96 3.36 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -65.73 -64.55 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.68 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.1 p-80 -38.2 -41.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 39' ' ' ARG . 13.9 mt -76.33 -56.01 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 81' ' ' LEU . 22.6 mt-30 -34.8 -37.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -69.75 -50.5 42.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 38.7 mttt -38.88 -33.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.46 HG22 ' OE1' ' A' ' 89' ' ' GLN . 5.4 mp -85.72 -45.99 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -48.37 -38.0 18.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.06 -61.71 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.089 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.8 -54.54 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' OE1' HG22 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -39.89 -60.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -87.89 128.67 35.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 50.57 52.0 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.83 116.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -91.89 -51.71 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -78.01 96.2 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.07 124.56 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.17 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -112.68 167.4 10.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.11 92.33 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -149.51 131.48 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -120.17 161.53 20.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.01 153.65 24.87 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -107.41 42.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -93.7 111.92 23.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.64 90.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -37.94 -48.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.831 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -87.42 -27.63 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.34 53.7 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.3 m -113.79 90.86 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.96 111.13 18.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -71.74 78.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.6 mt -124.65 79.05 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 15' ' ' LEU . 7.2 tt -171.72 151.93 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.8 mmp_? -146.92 129.76 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 t -121.21 -20.54 6.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.4 34.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -137.89 164.71 28.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 HD12 HG22 ' A' ' 58' ' ' VAL . 3.5 mt -145.03 128.56 17.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.68 ' HA ' HG22 ' A' ' 55' ' ' THR . 13.7 mt-10 -71.5 116.18 11.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' HG13 ' A' ' 56' ' ' VAL . 39.5 t -73.39 131.68 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.7 t -65.32 127.89 33.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -72.72 -31.41 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.48 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 3.2 mp0 -68.91 -61.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' GLY . 7.5 t80 -36.33 -56.8 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 45.2 mt-30 -37.54 -53.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -82.31 -17.15 46.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' PHE . . . 87.83 51.61 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -121.41 -24.67 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 24.4 t -54.46 145.04 19.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -117.08 -24.02 7.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -73.62 -18.04 61.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.6 179.07 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.497 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.4 tt0 -79.06 14.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -114.66 -26.21 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -123.76 -5.35 8.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 17.4 t -94.31 145.09 24.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 39' ' ' ARG . 4.4 ptp180 -86.01 16.08 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -116.99 142.93 46.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.499 ' HB2' HD22 ' A' ' 20' ' ' LEU . . . -83.76 92.69 7.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.078 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.459 ' CD2' ' HB2' ' A' ' 23' ' ' CYS . 46.5 m170 -67.92 112.0 9.35 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.71 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 169.57 18.61 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.3 11.83 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.31 41.85 19.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' THR . 77.6 p -117.8 73.66 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 47' ' ' THR . 7.2 t 26.26 53.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.5 ptm -134.13 39.93 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.71 HD11 ' HG3' ' A' ' 43' ' ' PRO . 96.7 mt -131.47 134.41 60.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.96 109.69 13.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 p -69.34 -1.17 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 t -87.49 -54.86 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 55' ' ' THR . 0.7 OUTLIER -119.1 17.71 13.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.858 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 57.7 t30 39.23 43.01 0.84 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.68 HG22 ' HA ' ' A' ' 21' ' ' GLU . 12.4 p -130.2 150.32 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' CG2' ' A' ' 22' ' ' VAL . 32.7 m -110.34 152.87 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 74' ' ' TYR . 5.6 m -75.83 156.88 34.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG22 HD12 ' A' ' 20' ' ' LEU . 98.9 t -115.65 128.79 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.0 t -69.04 120.61 15.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' MET . 0.0 OUTLIER -71.17 -49.42 44.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -50.52 -59.89 3.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CZ ' ' OE1' ' A' ' 82' ' ' GLN . 19.7 t80 -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 63' ' ' ILE . 15.4 mm -46.52 -44.54 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -61.9 -26.74 68.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.72 -15.07 14.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtm-85 -129.54 101.04 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' HB2' ' N ' ' A' ' 62' ' ' TYR . 2.3 t -113.73 112.98 24.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 34.0 mtt -133.64 20.55 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.43 119.33 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 113.43 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 72' ' ' CYS . 15.9 mmtt 56.89 52.25 9.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.5 t -33.17 106.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.28 31.73 1.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 57' ' ' THR . 5.1 m-85 -128.37 144.84 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 76' ' ' HIS . 39.0 t80 -70.25 156.12 39.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.3 m170 -121.88 104.49 38.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.529 0.68 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.47 18.81 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.714 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.6 Cg_endo -69.74 -178.93 2.56 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.61 -54.81 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 39.6 p-80 -49.25 -43.44 42.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.696 HD12 ' CD ' ' A' ' 78' ' ' PRO . 21.6 mt -73.76 -53.03 11.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.547 ' OE1' ' CZ ' ' A' ' 62' ' ' TYR . 20.2 mt-30 -35.74 -34.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -71.35 -55.61 7.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.4 mptm? -35.54 -40.19 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.552 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -77.64 -50.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 14.3 mttp -43.01 -48.04 5.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -37.55 -50.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.06 -54.56 45.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -47.57 -51.06 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -62.41 148.5 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -85.5 41.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.99 160.58 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -109.7 84.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -108.62 -54.62 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.88 87.02 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.85 -27.99 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.2 m -50.32 -19.97 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -121.86 111.41 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -154.74 171.24 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.18 177.95 19.9 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -166.91 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -151.39 121.15 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.23 -96.95 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.444 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 p -129.89 164.43 24.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.86 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -103.83 -46.44 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.46 117.8 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.1 p -111.08 170.38 8.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -58.48 112.3 1.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -108.04 160.5 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tp -110.15 112.77 24.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -109.48 -67.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -53.78 120.21 5.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 t -110.51 35.62 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -96.4 40.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -142.35 121.34 12.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mt -103.57 138.53 40.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' HA ' HG22 ' A' ' 55' ' ' THR . 47.7 mt-10 -83.69 116.38 22.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD ' ' A' ' 43' ' ' PRO . 50.3 t -69.73 131.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 t -62.94 148.26 47.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 10.9 mmm180 -92.07 -35.81 13.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 49.4 mt-10 -66.95 -57.2 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 1.2 t80 -40.77 -43.48 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -44.07 -50.77 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -88.65 -19.18 26.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.16 54.58 1.46 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -123.34 -33.15 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -52.11 102.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.83 20.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -112.6 -24.23 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.37 167.85 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.431 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -64.25 -5.81 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.2 p -87.09 -47.94 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.1 4.16 36.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 21.4 t -110.42 139.19 45.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -75.64 -25.28 56.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -84.66 136.47 33.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.38 140.63 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 m170 -108.76 100.52 39.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' CD ' HG13 ' A' ' 22' ' ' VAL . 53.8 Cg_endo -69.7 85.12 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -107.82 -42.0 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -43.59 -48.91 7.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.8 m -151.48 174.58 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.2 m -78.58 46.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.1 mmm -85.71 80.63 8.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt -137.23 140.21 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.1 m-20 -87.59 111.21 21.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 42.6 p -70.06 0.07 6.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.4 t -93.17 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 55' ' ' THR . 0.9 OUTLIER -127.24 24.7 6.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.0 OUTLIER 36.89 35.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.9 p -121.13 173.55 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.8 m -132.29 148.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -78.11 156.92 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.6 t -117.6 138.03 49.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 39.7 t -80.65 98.5 7.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.1 tpt -49.87 -54.9 16.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 64' ' ' LYS . 16.4 m-20 -49.49 -61.51 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -39.23 -48.43 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.5 mm -54.86 -38.59 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 61' ' ' ASP . 10.9 mmmm -63.93 -26.22 68.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.66 -20.23 8.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -128.05 107.15 9.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.17 96.77 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 35.4 ttp -126.16 28.06 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -58.06 132.75 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.46 91.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 74.99 49.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.2 t -42.41 130.39 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -133.32 43.31 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -125.56 158.52 34.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -76.21 143.59 40.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -111.69 108.65 55.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.33 34.96 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.256 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.2 Cg_endo -69.76 -179.47 2.93 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.24 . . . . 0.0 112.386 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.1 -64.56 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 41.8 p-80 -42.26 -56.83 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.615 HD12 ' CD ' ' A' ' 78' ' ' PRO . 20.8 mt -59.2 -56.96 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.4 mt-30 -34.53 -39.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 -50.68 23.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LEU . 39.1 mttt -40.07 -41.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 81' ' ' LEU . 5.4 mp -71.75 -49.27 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -46.07 -46.0 16.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.47 -54.51 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.35 -59.91 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -48.32 -43.95 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -77.08 155.68 32.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -91.67 93.25 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.09 175.95 9.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.43 103.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -56.4 122.46 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -44.49 158.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -111.11 -34.75 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.6 p -100.48 135.82 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -157.73 118.31 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 110.81 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 p -158.86 155.88 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.26 178.32 45.27 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -159.61 114.11 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.48 133.16 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.52 -150.55 5.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.6 p -141.93 144.35 33.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.8 p -136.5 169.84 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.13 105.33 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -172.27 129.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -133.43 42.71 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -77.21 129.63 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD13 ' NH1' ' A' ' 16' ' ' ARG . 3.5 pp -86.46 156.24 20.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.8 137.21 8.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.743 ' NH1' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -95.06 168.74 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 t -127.65 -38.14 1.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.07 53.3 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 139.6 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.62 HD12 HG22 ' A' ' 58' ' ' VAL . 3.9 mt -127.66 146.3 50.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.92 110.37 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.713 ' CG2' HG13 ' A' ' 56' ' ' VAL . 24.4 t -64.68 126.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 t -62.68 113.36 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -25.36 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 28.3 mm-40 -73.1 -62.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' GLU . 3.8 t80 -36.9 -44.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -48.52 -57.82 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 8.8 ptm180 -84.96 16.02 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.1 55.4 30.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -29.27 4.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 13.8 t -54.36 140.13 34.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.92 -20.78 11.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -76.86 -17.66 58.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 55.68 179.53 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 21.3 tt0 -80.69 16.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.5 p -116.59 -27.11 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.192 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -122.57 -8.25 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.6 t -93.73 147.6 22.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' HD21 ' A' ' 81' ' ' LEU . 33.9 ptt180 -98.21 21.12 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -118.29 137.02 53.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.46 118.21 9.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -99.39 100.73 11.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.564 0.697 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.531 ' HG3' HD11 ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.74 100.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.51 96.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.99 -26.14 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.5 m 52.34 44.02 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.1 m -125.49 -41.27 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -83.33 44.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 43' ' ' PRO . 50.8 mt -105.79 138.5 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.64 115.96 23.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -73.92 2.07 9.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -92.47 -46.01 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 55' ' ' THR . 1.4 m-20 -133.88 23.49 3.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 39.72 35.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 53' ' ' ASP . 6.9 p -112.17 153.04 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.713 HG13 ' CG2' ' A' ' 22' ' ' VAL . 23.5 m -114.96 142.88 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.428 ' HB ' ' CD2' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.95 156.34 39.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG22 HD12 ' A' ' 20' ' ' LEU . 53.8 t -121.51 135.82 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -72.96 103.71 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tpt -50.07 -57.99 6.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -47.73 -61.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -38.7 -50.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.443 ' CD1' ' HG2' ' A' ' 82' ' ' GLN . 34.0 mm -47.08 -44.59 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -60.84 -26.58 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.07 -19.95 8.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -128.07 107.09 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 t -98.76 118.23 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.469 ' O ' ' C ' ' A' ' 69' ' ' ARG . 22.3 mmt -122.72 -22.76 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 68' ' ' MET . 4.2 ttm-85 -32.33 100.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 13.2 mt-10 -36.99 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' GLU . 36.7 mtmt 34.8 41.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -50.24 105.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -102.5 37.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HB ' ' A' ' 57' ' ' THR . 13.9 m-85 -110.19 159.65 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -81.88 139.38 34.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -108.4 98.87 29.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.593 0.711 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 166.38 27.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.5 Cg_endo -69.74 -179.51 2.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.274 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.61 -68.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 48.3 p-80 -34.99 -49.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 17.9 mt -69.63 -55.94 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 63' ' ' ILE . 17.1 mt-30 -37.93 -32.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -75.7 -55.06 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 83' ' ' ALA . 29.0 mttt -35.86 -40.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.77 -42.38 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 83' ' ' ALA . 5.1 mtmp? -55.45 -45.84 76.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.04 -53.04 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.25 -52.39 21.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -57.29 -58.97 5.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.99 -67.4 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 118.32 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.28 162.16 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -118.64 -48.92 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -89.32 135.18 33.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.94 135.12 9.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.64 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.5 t -41.79 136.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 65.38 42.16 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -58.33 177.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.88 174.68 29.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -158.16 118.03 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -46.38 -51.26 15.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.45 -128.16 2.21 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.25 113.2 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.988 0.423 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.8 m -101.09 81.97 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.97 153.78 17.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 t -39.82 138.0 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -109.07 113.79 26.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -76.16 133.58 40.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.3 mt -100.2 104.64 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB2' ' CG ' ' A' ' 18' ' ' ASP . 4.2 mm? -89.97 -175.84 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 18' ' ' ASP . 2.3 mmp_? -69.12 115.03 7.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' ARG . 12.9 t 31.05 35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -79.52 42.17 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.13 133.75 37.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 56' ' ' VAL . 3.2 mt -117.67 125.83 51.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.0 142.7 58.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.722 ' CG2' HG13 ' A' ' 56' ' ' VAL . 26.8 t -99.92 118.78 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.09 146.93 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.13 -34.05 14.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.482 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 70.8 mm-40 -69.69 -58.98 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 42' ' ' HIS . 3.8 t80 -37.05 -47.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.65 -48.02 29.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.4 25.71 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.42 47.31 44.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -111.07 -36.21 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.482 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.6 t -54.4 144.83 19.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.12 -29.5 6.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.406 ' HB3' ' C ' ' A' ' 37' ' ' ASP . 16.0 mtt85 -62.19 -28.3 69.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 66.69 -177.18 18.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.63 10.44 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.8 p -113.71 -32.8 6.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 6.7 t70 -109.65 -12.63 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 4.2 t -97.94 139.68 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -79.03 -40.14 32.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -63.67 132.08 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 130.25 43.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 32.0 m170 -100.51 100.44 12.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' CG ' HD11 ' A' ' 49' ' ' ILE . 54.2 Cg_endo -69.73 94.38 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.67 -41.45 9.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -122.01 -55.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -55.11 109.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 t -87.82 59.23 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG12 ' A' ' 56' ' ' VAL . 3.5 mpp? -111.22 43.99 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.464 HD11 ' CG ' ' A' ' 43' ' ' PRO . 91.9 mt -92.89 138.8 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.2 m-20 -99.77 117.74 34.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.4 p -71.27 1.24 6.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 m -92.74 -42.67 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -134.95 23.93 3.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.8 36.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 53' ' ' ASP . 41.7 p -118.01 156.66 28.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.722 HG13 ' CG2' ' A' ' 22' ' ' VAL . 33.1 m -115.28 155.25 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 58' ' ' VAL . 10.7 m -80.7 157.12 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HD12 ' A' ' 20' ' ' LEU . 67.9 t -120.41 128.27 75.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.5 t -71.5 124.98 25.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 tpt -67.48 -54.25 21.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -53.26 -58.64 6.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 42.6 t80 -36.6 -50.92 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 86' ' ' LYS . 39.7 mm -46.38 -48.65 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -60.86 -25.31 66.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 117.81 -20.85 10.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -124.39 107.17 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.89 99.07 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.2 ptm -118.94 25.79 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -59.21 144.76 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.35 107.93 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.39 48.82 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.1 t -48.89 124.74 9.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -127.58 44.38 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.65 156.97 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -75.46 149.8 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.547 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 17.6 m170 -119.76 97.79 49.72 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.545 0.688 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.9 Cg_endo -69.67 170.17 17.09 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.742 2.295 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.701 ' HD2' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.83 -179.74 3.15 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.08 -57.84 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 38.4 p-80 -45.6 -44.1 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.701 HD12 ' HD2' ' A' ' 78' ' ' PRO . 17.2 mt -71.98 -56.02 6.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.514 ' HG2' HD13 ' A' ' 63' ' ' ILE . 28.1 mt-30 -34.52 -38.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' LYS . . . -68.94 -53.79 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' ALA . 8.2 mptt -36.27 -36.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -80.82 -41.95 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HE2' HG22 ' A' ' 63' ' ' ILE . 5.8 mtpm? -58.29 -42.4 86.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB1' ' OD1' ' A' ' 93' ' ' ASN . . . -46.9 -43.12 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.09 -55.71 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 85' ' ' ILE . 2.7 mp0 -49.16 -61.24 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -64.66 157.41 27.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -91.66 -179.68 5.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.55 44.94 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.586 ' OD1' ' HB1' ' A' ' 87' ' ' ALA . 20.5 t30 -82.42 120.71 25.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 5.4 pm0 -78.67 161.9 26.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLN . . . 67.14 41.53 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.2 167.35 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.91 156.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.104 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -160.36 168.41 25.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 p -170.2 165.64 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.15 -150.98 7.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -100.39 84.17 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -99.13 42.18 1.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 101.89 0.4 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -103.81 142.79 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.967 0.413 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 9' ' ' THR . 15.3 t -77.67 121.8 24.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.21 110.34 8.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' LYS . 75.2 p -82.14 39.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 11' ' ' THR . 30.2 pt20 35.39 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 11' ' ' THR . 19.2 ttmt -116.75 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 15' ' ' LEU . 4.6 pp -170.76 178.8 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.633 ' HB2' HD12 ' A' ' 14' ' ' LEU . 20.2 tp 63.94 50.71 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -95.77 158.65 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.2 t -99.54 -29.24 12.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -95.04 39.1 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -146.13 149.4 33.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 77' ' ' PRO . 5.8 mt -133.87 124.03 25.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 55' ' ' THR . 35.4 mt-10 -66.8 122.0 16.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.554 ' CG2' HG13 ' A' ' 56' ' ' VAL . 82.6 t -72.76 134.67 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.18 148.99 51.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -92.09 -35.4 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 68.8 mt-10 -67.94 -57.71 5.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t80 -39.66 -44.54 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -48.59 -43.28 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.94 26.64 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 47.29 43.47 19.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -110.61 -33.9 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 11.3 t -52.28 136.78 30.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -107.86 -26.54 10.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -65.26 -21.43 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.38 179.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 29.2 tt0 -79.58 13.13 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -113.14 -30.47 6.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -117.18 -9.58 10.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 8.1 t -95.33 136.81 35.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -73.23 -38.04 66.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -69.99 133.17 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.781 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -65.2 142.7 58.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 38.3 m170 -114.05 100.33 52.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.9 Cg_endo -69.77 92.86 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -108.35 -38.69 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -59.03 -50.21 74.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -132.73 164.46 26.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 47' ' ' THR . 13.9 t -95.8 40.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 73.5 mtm -81.99 81.25 8.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 HD11 ' CG ' ' A' ' 43' ' ' PRO . 44.9 mt -131.73 147.72 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.34 120.55 42.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.5 p -76.45 6.97 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -94.84 -46.69 6.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -121.66 -25.51 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.7 t30 69.76 50.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 21' ' ' GLU . 67.0 p -137.41 157.51 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG13 ' CG2' ' A' ' 22' ' ' VAL . 18.1 m -122.04 140.25 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -69.54 152.18 45.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -106.73 136.77 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.7 tpp -49.74 -57.23 7.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.53 -57.35 3.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -48.9 -49.89 37.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 mm -47.31 -40.42 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -68.24 -26.12 65.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.75 -18.9 9.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.465 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -128.52 105.31 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.91 100.49 11.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 70' ' ' GLU . 3.2 ptt? -100.32 -22.09 15.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' MET . 2.7 ttt85 -37.03 95.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 71' ' ' LYS . 70.6 tt0 -37.77 148.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 70' ' ' GLU . 2.8 tppp? 34.38 47.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 102.31 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -96.85 33.09 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.0 158.15 16.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.781 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -76.83 133.15 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -104.48 102.33 33.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 160.66 48.87 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.705 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.4 Cg_endo -69.73 -179.02 2.61 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.371 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -64.48 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.705 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.4 p-80 -37.98 -50.35 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 18.2 mt -69.23 -55.89 9.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 17.8 mt-30 -35.33 -36.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.95 -46.4 68.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mtpp -42.64 -34.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.52 -47.2 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -56.37 -56.0 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.54 -41.54 54.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.1 -45.06 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -76.37 -49.98 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -73.64 123.47 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -74.21 102.99 4.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.44 96.16 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -164.8 108.52 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -164.1 155.77 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 159.99 40.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -46.93 124.11 5.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.0 m -91.58 141.12 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -128.51 109.2 11.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -75.14 -53.44 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.18 109.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -151.79 153.59 34.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.3 m -146.9 139.75 25.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.63 46.21 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 m -85.36 85.55 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.961 0.41 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 t -134.24 145.73 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.12 147.17 39.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.2 m -64.21 144.24 57.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -152.45 149.04 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -105.19 39.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -146.23 140.0 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 tp -155.49 157.57 37.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -142.8 155.54 44.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -126.49 -25.39 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -80.47 52.95 1.73 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -129.98 130.72 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD12 ' CG2' ' A' ' 58' ' ' VAL . 4.4 mt -117.57 130.56 56.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -74.41 115.49 14.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG23 HG13 ' A' ' 56' ' ' VAL . 13.2 t -64.4 134.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.03 146.31 52.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 24' ' ' ARG . 7.0 mtp-105 -92.39 -34.08 14.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 63.4 mm-40 -66.99 -51.89 49.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.3 t80 -49.84 -43.69 49.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -49.26 -44.39 43.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -97.65 24.76 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 45.36 47.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.473 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -110.75 -40.66 4.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 2.5 t -53.9 123.21 11.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.7 -16.36 15.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -74.92 -18.07 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 168.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.5 pm0 -64.67 -7.91 12.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.962 0.41 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 p -86.59 -39.35 16.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.42 3.95 21.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.2 t -110.72 130.8 55.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -66.4 -25.43 66.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.57 144.35 28.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.63 139.7 40.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 26' ' ' PHE . 13.9 m170 -107.04 101.55 38.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.533 0.682 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' CG ' HD11 ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.78 111.19 2.75 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.61 -44.16 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.6 133.18 53.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.606 ' O ' HD12 ' A' ' 49' ' ' ILE . 18.4 m -46.62 -45.26 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.5 p -48.11 166.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ttt 68.51 33.39 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 46' ' ' SER . 96.9 mt -136.4 130.93 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -96.98 124.01 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.8 p -75.82 4.36 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -94.91 -41.35 9.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.51 -29.26 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 70.18 39.48 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 p -119.4 146.56 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.589 HG13 HG23 ' A' ' 22' ' ' VAL . 16.9 m -116.13 145.12 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.0 m -73.32 147.96 43.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.57 ' CG2' HD12 ' A' ' 20' ' ' LEU . 40.0 t -115.46 129.27 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 t -63.71 109.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 tpt -56.26 -55.25 35.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' TYR . 10.6 t0 -49.25 -61.43 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' CD1' ' ND1' ' A' ' 76' ' ' HIS . 65.4 t80 -37.3 -49.98 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 41.3 mm -47.07 -43.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -62.01 -26.56 68.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.38 -17.47 11.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 13.9 ttp-105 -129.34 106.63 8.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.28 97.13 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 19.0 ttt -97.02 -16.14 20.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.77 101.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.3 tt0 -42.31 144.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER 33.75 52.99 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 113.09 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.15 35.51 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -103.66 157.99 16.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -79.79 132.83 36.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.446 ' ND1' ' CD1' ' A' ' 62' ' ' TYR . 15.0 m170 -104.53 101.75 29.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 165.51 30.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 0.0 112.364 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.701 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.0 Cg_endo -69.78 -179.62 3.05 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.642 2.228 . . . . 0.0 112.393 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . . . -66.18 -66.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.701 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 46.1 p-80 -36.38 -45.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.5 mt -73.98 -49.63 23.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 28.0 mt-30 -37.4 -37.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.28 49.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.1 mtpt -41.38 -39.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -80.04 -47.26 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 4.6 mtmp? -51.63 -54.34 28.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' LYS . . . -34.54 -50.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.35 -51.89 31.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.071 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -62.43 -54.11 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' CE1' ' O ' ' A' ' 91' ' ' GLN . 1.9 t-80 -68.77 123.47 21.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.443 ' O ' ' CE1' ' A' ' 90' ' ' HIS . 9.9 pt20 -42.1 119.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -141.79 137.13 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -68.15 88.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' CD ' ' C ' ' A' ' 94' ' ' GLN . 4.1 pp0? -170.8 157.15 5.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.43 22.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -159.96 109.6 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 97' ' ' VAL . 11.8 p -108.26 124.97 64.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -154.52 137.59 15.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -147.91 176.28 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.89 126.8 1.54 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -147.5 171.2 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -136.91 164.68 27.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.14 92.33 0.46 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 p -154.71 137.13 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.966 0.412 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -138.75 163.75 31.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.113 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.36 153.42 23.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.0 m -106.88 83.25 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.89 44.45 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -99.34 39.18 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.1 pt? -162.86 122.17 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 pp -175.17 163.78 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -92.97 163.58 13.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -103.16 -32.23 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.14 44.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -129.87 121.95 27.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 58' ' ' VAL . 7.0 mt -112.86 130.41 56.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 55' ' ' THR . 20.6 mt-10 -73.09 111.92 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.723 ' CG2' HG13 ' A' ' 56' ' ' VAL . 51.5 t -64.57 127.9 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.45 126.4 29.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.4 mtt85 -73.04 -39.85 65.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HB3' ' N ' ' A' ' 31' ' ' CYS . 77.8 mt-10 -58.9 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' GLU . 1.7 t80 -35.74 -48.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -45.22 -57.05 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 25' ' ' GLU . 9.8 ptp180 -86.43 26.2 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.23 45.58 27.69 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.454 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -109.9 -32.21 7.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' N ' ' HB3' ' A' ' 25' ' ' GLU . 16.2 t -58.03 144.59 39.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -114.7 -32.03 5.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.4 mmt180 -59.28 -20.77 57.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 58.01 177.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.491 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 25.2 tt0 -78.68 14.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.8 p -113.63 -34.36 5.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' ARG . 2.2 m-20 -115.13 -6.85 12.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 6.1 t -98.46 137.68 36.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' O ' HD11 ' A' ' 81' ' ' LEU . 94.0 mtm-85 -74.58 -40.65 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -59.37 140.43 56.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -75.62 124.66 27.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 29.8 m170 -99.31 100.87 11.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 42' ' ' HIS . 53.4 Cg_endo -69.78 128.47 16.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.46 -42.84 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -66.15 175.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -103.39 152.01 22.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 47' ' ' THR . 18.7 m 56.17 42.05 28.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 tpp -127.61 36.64 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mt -136.2 141.33 41.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -85.92 112.07 20.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.1 p -72.34 -3.26 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.2 m -85.48 -47.83 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 55' ' ' THR . 4.6 m-20 -133.8 28.23 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 54' ' ' ASN . 1.1 p-10 37.63 36.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ASP . 11.9 p -115.88 172.2 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 HG13 ' CG2' ' A' ' 22' ' ' VAL . 29.0 m -132.37 157.57 43.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -85.76 156.9 20.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.537 HG22 HD12 ' A' ' 20' ' ' LEU . 98.8 t -123.42 131.96 72.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.401 ' O ' HG12 ' A' ' 63' ' ' ILE . 48.1 t -63.57 138.8 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.459 ' O ' ' HB ' ' A' ' 63' ' ' ILE . 3.6 tpt -84.15 -45.74 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' TYR . 5.4 m-20 -61.97 -65.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' GLY . 43.4 t80 -34.64 -46.57 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 63' ' ' ILE . 5.6 mm -41.54 -55.07 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 13.1 ptmt -60.73 -26.41 67.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' TYR . . . 121.56 -22.22 7.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -114.67 104.39 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.894 0.378 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 3.9 t -113.63 103.63 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 1.9 tpt -134.54 26.32 3.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -59.64 159.0 9.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.3 102.9 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.71 54.19 10.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.2 t -46.8 121.33 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.01 38.27 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -115.48 159.24 21.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -79.67 143.96 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 17.9 m170 -111.75 102.8 54.31 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 76' ' ' HIS . 53.7 Cg_endo -69.76 168.19 22.26 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.652 2.235 . . . . 0.0 112.335 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.698 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 54.3 Cg_endo -69.74 -179.6 3.01 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.35 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 42.1 p-80 -39.27 -50.49 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 80' ' ' HIS . 16.0 mt -66.56 -54.93 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 81' ' ' LEU . 25.0 mt-30 -34.57 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . -68.2 -54.61 16.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' ALA . 1.2 mptp? -36.69 -39.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -78.22 -46.31 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -48.82 -51.55 28.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.71 -59.88 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB2' ' CB ' ' A' ' 98' ' ' ALA . . . -43.23 -49.33 6.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -54.14 -58.92 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -76.11 169.82 17.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -60.62 110.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.1 176.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.14 129.84 49.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 58.15 43.31 20.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 51.44 44.82 28.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.67 81.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.2 p -49.43 141.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.3 p -47.11 -40.84 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 20.0 m 36.44 42.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 131.47 6.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -161.75 168.43 23.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -150.97 161.2 43.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.32 -62.89 0.29 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t 71.21 41.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.94 0.4 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t -132.5 149.84 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.33 151.57 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.565 ' O ' HG22 ' A' ' 11' ' ' THR . 20.2 m 67.76 39.71 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -43.09 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.52 136.83 9.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -120.95 89.0 3.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 tp -131.9 -56.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -143.21 156.48 44.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -91.0 -22.26 20.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -89.03 43.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -126.8 115.73 19.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD13 ' HB2' ' A' ' 41' ' ' ALA . 11.0 mt -108.45 122.54 47.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 55' ' ' THR . 22.2 mt-10 -68.23 125.48 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' CG2' HG13 ' A' ' 56' ' ' VAL . 19.8 t -78.95 130.1 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.32 148.98 35.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -91.96 -30.89 15.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -73.14 -62.58 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -38.96 -44.07 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -43.23 -48.23 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptt180 -90.5 -19.32 23.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.25 52.72 1.43 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -124.32 -29.33 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.0 t -56.38 129.29 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.71 -22.34 12.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -72.73 -19.89 61.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 38' ' ' CYS . . . 56.29 165.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.99 -12.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.6 p -82.61 -65.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -82.38 3.25 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 10.4 t -107.57 154.19 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.37 8.14 43.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -113.83 133.01 55.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.717 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -76.45 97.38 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 24.2 m170 -67.68 112.64 10.96 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.575 0.702 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 83.85 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -11.17 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' SER . 4.5 p30 -92.79 6.9 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' ASP . 6.3 m 36.01 47.72 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 45' ' ' ASP . 12.9 t -164.36 178.86 7.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 71.8 mtm 61.71 37.87 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.6 mt -114.68 148.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -115.15 119.05 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.1 p -73.1 3.03 6.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 t -97.88 -38.82 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -122.68 -30.0 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' ASP . 46.1 t30 69.27 41.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 21' ' ' GLU . 41.3 p -127.65 150.5 49.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG13 ' CG2' ' A' ' 22' ' ' VAL . 17.2 m -116.03 142.27 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -65.29 156.27 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.3 t -122.35 135.84 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.7 t -73.57 125.33 27.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.2 tpt -73.93 -51.26 16.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' CG ' ' O ' ' A' ' 66' ' ' ARG . 10.0 t0 -51.32 -61.28 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.487 ' CA ' ' HB2' ' A' ' 67' ' ' CYS . 35.3 t80 -44.68 -49.81 10.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 86' ' ' LYS . 9.6 mm -47.67 -42.6 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' CE ' ' A' ' 86' ' ' LYS . 36.6 mtpt -64.78 -25.62 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.94 -23.03 7.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' O ' ' CG ' ' A' ' 61' ' ' ASP . 5.3 ptm180 -127.48 106.57 9.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.487 ' HB2' ' CA ' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -109.53 100.23 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 5.0 tpt -113.95 17.18 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 70' ' ' GLU . 45.3 mtt-85 -53.69 100.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -34.4 118.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt 54.06 54.55 9.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.45 130.76 45.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 21.44 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -93.46 151.83 19.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.561 ' CZ ' ' HB1' ' A' ' 41' ' ' ALA . 33.6 t80 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -105.62 106.32 55.93 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.687 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HB3' HD11 ' A' ' 20' ' ' LEU . 53.3 Cg_endo -69.82 166.96 25.93 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.691 ' CG ' ' CE1' ' A' ' 80' ' ' HIS . 53.8 Cg_endo -69.8 -179.36 2.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.91 -60.31 2.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.691 ' CE1' ' CG ' ' A' ' 78' ' ' PRO . 45.6 p-80 -42.59 -40.4 2.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 78' ' ' PRO . 21.2 mt -77.35 -49.06 15.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' HG2' HD13 ' A' ' 63' ' ' ILE . 24.6 mt-30 -38.47 -33.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.02 -40.03 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -49.66 -38.21 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.82 -53.53 17.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.464 ' HG3' ' CG2' ' A' ' 63' ' ' ILE . 28.8 mttm -55.89 -58.57 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.31 -35.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.63 -44.8 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -64.6 -58.07 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -65.02 -55.12 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -104.18 98.97 8.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.68 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 69.77 43.42 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' ALA . 29.7 tp60 51.31 40.63 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' GLN . . . -34.03 110.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.73 175.62 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 p -52.96 136.86 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.868 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_